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Chemistry, part 2

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
organooxygen compound > ester > carboxylic ester > acetate ester > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > diol > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > diol > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > pentacyclic triterpenoid > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > pentacyclic triterpenoid > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > pentacyclic triterpenoid > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > triterpenoid saponin > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > triterpenoid saponin > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside

Preferred term

rubianol-e 3-o-(6'-o-acetyl)-beta-d-glucopyranoside  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C42H66O13

has_role

inchi

  • InChI=1S/C42H66O13/c1-20(2)25-15-27(47)35-41(10)12-11-24-31(40(41,9)13-14-42(25,35)19-52-22(4)44)26(46)16-30-38(6,7)36(28(53-23(5)45)17-39(24,30)8)55-37-34(50)33(49)32(48)29(54-37)18-51-21(3)43/h11,20,25-37,46-50H,12-19H2,1-10H3/t25-,26-,27+,28+,29+,30-,31-,32+,33-,34+,35+,36-,37-,39+,40-,41+,42+/m0/s1

inchikey

  • MIOBGTKJTCKTTC-XADNGMGVSA-N

mass

  • 778.96560

monoisotopicmass

  • 778.45034

smiles

  • CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C[C@]4(C)C3=CC[C@]21C)OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • [(1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,11aS,13aR,13bR)-9-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-10-(acetyloxy)-1,6-dihydroxy-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1,2,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate

synonym RELATED

  • 2alpha,28-diacetoxy-3beta,7beta,19alpha-trihydroxyarbor-9(11)-en-3-O-(6'-O-acetyl)-beta-D-glucopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69507

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