(Q104953348)

English

(2Z,4E)-N-(4,5-dimethyl-2-oxooxolan-3-yl)-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3bH,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl}-2-methylhepta-2,4-dienimidic acid

group of stereoisomers with the chemical formula C₃₆H₅₅NO₄

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instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

565.41310924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₅NO₄

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canonical SMILES

CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(=O)NC1C(=O)OC(C)C1C

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isomeric SMILES

C/C(=C/C=C/C(C)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(=O)NC1C(=O)OC(C)C1C

1 reference

1 reference

New triterpenes from heinsia crinata

Identifiers

InChI

InChI=1S/C36H55NO4/c1-21(11-10-12-22(2)31(39)37-30-23(3)24(4)41-32(30)40)25-15-19-36(9)27-13-14-28-33(5,6)29(38)17-18-34(28,7)26(27)16-20-35(25,36)8/h10-12,16,21,23-25,27-30,38H,13-15,17-20H2,1-9H3,(H,37,39)/b11-10+,22-12-

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InChIKey

CCHVCVBBYFYYES-MDYPAZDSSA-N

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(Q104953348)

(2Z,4E)-N-(4,5-dimethyl-2-oxooxolan-3-yl)-6-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3bH,4H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl}-2-methylhepta-2,4-dienimidic acid

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Identifiers

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