(Q104916095)

English

(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl) 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₉H₅₄O₄

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

alkyl caffeate ester

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alkyl caffeate ester

586.402210208 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₄O₄

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canonical SMILES

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

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Identifiers

InChI=1S/C39H54O4/c1-34(2)19-20-36(5)21-22-38(7)26(27(36)24-34)11-13-31-37(6)17-16-32(35(3,4)30(37)15-18-39(31,38)8)43-33(42)14-10-25-9-12-28(40)29(41)23-25/h9-14,23,27,30,32,40-41H,15-22,24H2,1-8H3

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AOZDPCOPAMZROC-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

AOZDPCOPAMZROC-UHFFFAOYSA-N

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