(Q105005407)

English

2,9,11-Trihydroxy-4,6,12,17,17-pentamethyl-18-(3,4,5-trihydroxyoxan-2-yl)oxyhexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-9,13-dien-8-one

group of stereoisomers with the chemical formula C₃₂H₄₆O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

574.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₉

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canonical SMILES

O=C1C(O)=C2C(O)C3(C4=CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC75CC47C(O)CC3(C)C2C(C)C1)C

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found in taxon

Actaea elata

1 reference

stated in

Trinor-cycloartane glycosides from the rhizomes of Cimicifuga foetida.

Identifiers

InChI

InChI=1S/C32H46O9/c1-14-10-15(33)23(36)21-22(14)29(4)11-19(35)32-13-31(32)9-8-20(41-27-25(38)24(37)16(34)12-40-27)28(2,3)17(31)6-7-18(32)30(29,5)26(21)39/h7,14,16-17,19-20,22,24-27,34-39H,6,8-13H2,1-5H3

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InChIKey

GAIDDOCCRNBXGU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GAIDDOCCRNBXGU-UHFFFAOYSA-N

(Q105005407)

2,9,11-Trihydroxy-4,6,12,17,17-pentamethyl-18-(3,4,5-trihydroxyoxan-2-yl)oxyhexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosa-9,13-dien-8-one

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Identifiers

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