(Q104912444)

English

6-[(E)-4-[(3S,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-1,4-dihydroxy-5,6-dihydrobenzo[c]xanthen-7-one

group of stereoisomers with the chemical formula C₃₅H₄₀O₅

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Statements

instance of

group of stereoisomers

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subclass of

6-[4-[(3S,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-1,4-dihydroxy-5,6-dihydrobenzo[c]xanthen-7-one

1 reference

based on heuristic

inferred from SMILES

mass

540.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₀O₅

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canonical SMILES

O=C1C=2C=CC=CC2OC=3C=4C(O)=CC=C(O)C4CC(C(=CCC5C(=C)C(O)CC6C(C)(C)CCCC56C)C)C13

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isomeric SMILES

C=C1C(C/C=C(\C)C2Cc3c(O)ccc(O)c3-c3oc4ccccc4c(=O)c32)[C@@]2(C)CCCC(C)(C)C2C[C@@H]1O

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found in taxon

Dichrostachys cinerea

1 reference

stated in

Meroterpenes from Dichrostachys cinerea inhibit protein farnesyl transferase activity

Identifiers

InChI

InChI=1S/C35H40O5/c1-19(11-12-24-20(2)27(38)18-29-34(3,4)15-8-16-35(24,29)5)22-17-23-25(36)13-14-26(37)30(23)33-31(22)32(39)21-9-6-7-10-28(21)40-33/h6-7,9-11,13-14,22,24,27,29,36-38H,2,8,12,15-18H2,1,3-5H3/b19-11+/t22?,24?,27-,29?,35+/m0/s1

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InChIKey

AHTDOSQUZMXRQZ-UWZDIDAWSA-N

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1 reference

26 December 2021

1 reference

(Q104912444)

6-[(E)-4-[(3S,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-1,4-dihydroxy-5,6-dihydrobenzo[c]xanthen-7-one

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