(Q105193039)

English

10-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-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 C₃₉H₅₄O₆

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

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inferred from

oleanane triterpenoid

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618.392039448 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₄O₆

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canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C)C=CC6=CC=C(O)C(O)=C6

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found in taxon

Betula davurica

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stated in

Triterpenoids of the bark and twigs ofBetula dahurica

Betula dauurica

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stated in

Triterpenoids of the bark and twigs ofBetula dahurica

Betula dahurica

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stated in

Triterpenoids of the bark and twigs ofBetula dahurica

Identifiers

InChI

InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)

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InChIKey

OJEUMHQEAMVIBI-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

OJEUMHQEAMVIBI-UHFFFAOYSA-N

1 reference

(Q105193039)

10-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Identifiers

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