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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > (24e)-3beta-acetoxy-15alpha-hydroxy-7alpha-methoxylanosta-8,24-dien-26-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (24e)-3beta-acetoxy-15alpha-hydroxy-7alpha-methoxylanosta-8,24-dien-26-oic acid

Preferred term

(24e)-3beta-acetoxy-15alpha-hydroxy-7alpha-methoxylanosta-8,24-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C33H52O6

inchi

  • InChI=1S/C33H52O6/c1-19(11-10-12-20(2)29(36)37)23-17-26(35)33(8)28-22(13-16-32(23,33)7)31(6)15-14-27(39-21(3)34)30(4,5)25(31)18-24(28)38-9/h12,19,23-27,35H,10-11,13-18H2,1-9H3,(H,36,37)/b20-12+/t19-,23-,24-,25+,26+,27+,31-,32-,33+/m1/s1

inchikey

  • DOGNEMJACWRRLK-DCLLEOEPSA-N

mass

  • 544.773

monoisotopicmass

  • 544.37639

smiles

  • O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3OC)C)CC2)(C)[C@H](C1)O)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227123

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