(Q105219451)

English

(2R,4aR,6aS,6aR,6bR,8aS,10R,12aR,14bR)-10-hydroxy-2,4a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,6a-dicarboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-Hydroxy-2,4a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,6a-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

486.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₅

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

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isomeric SMILES

CC1(C)[C@H]2CC[C@]3(C)[C@@H](CC=C4[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C(=O)O)[C@@]2(C)CC[C@H]1O

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found in taxon

Cordia alliodora

1 reference

stated in

Ant-repellent triterpenoids from Cordia alliodora

Identifiers

InChI

InChI=1S/C30H46O5/c1-25(2)20-9-12-29(6)21(28(20,5)11-10-22(25)31)8-7-18-19-17-27(4,23(32)33)14-13-26(19,3)15-16-30(18,29)24(34)35/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21-,22+,26+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

QEZXREBSGZAJJO-KGYNTGMPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QEZXREBSGZAJJO-KGYNTGMPSA-N

(Q105219451)

(2R,4aR,6aS,6aR,6bR,8aS,10R,12aR,14bR)-10-hydroxy-2,4a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,6a-dicarboxylic acid

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