(Q105183356)

English

[8a-(Hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₉H₅₆O₅

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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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604.412774892 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₆O₅

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(CO)CCC43C)C1(C)C)C=CC6=CC=C(O)C(O)=C6

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found in taxon

Larrea tridentata

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stated in

3β-(3,4-Dihydroxycinnamoyl)-erythrodiol and 3β-(4-hydroxycinnamoyl)-erythrodiol from Larrea tridentata

Identifiers

InChI

InChI=1S/C39H56O5/c1-34(2)18-20-39(24-40)21-19-37(6)26(27(39)23-34)10-12-31-36(5)16-15-32(35(3,4)30(36)14-17-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-11,13,22,27,30-32,40-42H,12,14-21,23-24H2,1-7H3

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InChIKey

NPRKWCDSDHHADP-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

NPRKWCDSDHHADP-UHFFFAOYSA-N

(Q105183356)

[8a-(Hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

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Identifiers

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