(Q104968614)

English

(2E,4E)-N-(4,5-dimethyl-2-oxooxolan-3-yl)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhepta-2,4-dienimidic acid

group of stereoisomers with the chemical formula C₃₆H₅₅NO₄

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Statements

instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane 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)(C)C(O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C

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isomeric SMILES

C/C(=C\C=C\C(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C)C(=O)NC1C(=O)OC(C)C1C

1 reference

1 reference

New triterpenes from heinsia crinata

Identifiers

InChI

InChI=1S/C36H55NO4/c1-21(10-9-11-22(2)30(39)37-29-23(3)24(4)41-31(29)40)25-14-16-34(8)27-13-12-26-32(5,6)28(38)15-17-35(26)20-36(27,35)19-18-33(25,34)7/h9-11,21,23-29,38H,12-20H2,1-8H3,(H,37,39)/b10-9+,22-11+

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InChIKey

CRNJWKWUVKKONS-AXOQHARZSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104968614)

(2E,4E)-N-(4,5-dimethyl-2-oxooxolan-3-yl)-6-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-2-methylhepta-2,4-dienimidic acid

Statements

Identifiers

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