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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)-3alpha,15alpha-diacetoxy-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)-3alpha,15alpha-diacetoxy-7alpha-methoxylanosta-8,24-dien-26-oic acid

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C35H54O7

inchi

  • InChI=1S/C35H54O7/c1-20(12-11-13-21(2)31(38)39)25-18-29(42-23(4)37)35(9)30-24(14-17-34(25,35)8)33(7)16-15-28(41-22(3)36)32(5,6)27(33)19-26(30)40-10/h13,20,25-29H,11-12,14-19H2,1-10H3,(H,38,39)/b21-13+/t20-,25-,26-,27+,28-,29+,33-,34-,35+/m1/s1

inchikey

  • TXMSDWRHMDOBBH-BBXNBKMWSA-N

mass

  • 586.810

monoisotopicmass

  • 586.38695

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)OC(=O)C)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-6-[(3R,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-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:207324

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