(Q105384450)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C(C)(CCC5C(C)(C)C(O)CCC45CO)C3(C)CC1

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(CO)CCC(O)C(C)(C)C5CC[C@]43C)C2C1

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found in taxon

Lantana montevidensis

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stated in

New pentacyclic triterpenoid from the roots of Lantana montevidensis (spreng.) briq. cultivated in Egypt

Identifiers

InChI

InChI=1S/C30H48O4/c1-25(2)13-15-29(24(33)34)16-14-27(5)19(20(29)17-25)7-8-22-28(27,6)11-9-21-26(3,4)23(32)10-12-30(21,22)18-31/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20?,21?,22?,23?,27-,28-,29+,30-/m1/s1

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InChIKey

ZVNHGZQUXCHNLK-IVXCJOJQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105384450)

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

Statements

Identifiers

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