(Q105236222)

English

6a-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₉H₅₂O₇

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

1 reference

632.371304004 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₂O₇

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canonical SMILES

O=C(OCC12C(=CCC3C4(C)CCC(=O)C(C)(C)C4CCC31C)C5CC(C)(C)CCC5(C(=O)O)CC2)C=CC6=CC=C(O)C(O)=C6

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found in taxon

Myrica cerifera

1 reference

stated in

Endothelin receptor antagonist triterpenoid, myriceric acid A, isolated from Myrica cerifera, and structure activity relationships of its derivatives

Identifiers

InChI

InChI=1S/C39H52O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-30,40-41H,11,13-20,22-23H2,1-6H3,(H,44,45)

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InChIKey

RHAKBYCTYSBWIE-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

RHAKBYCTYSBWIE-UHFFFAOYSA-N

(Q105236222)

6a-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

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