(Q110190184)

English

2-(Hydroxymethyl)-6-[[7,7,12,16-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)-6-(3,4,5-trihydroxyoxan-2-yl)oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₁H₇₀O₁₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

786.47655692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₇₀O₁₄

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canonical SMILES

OCC1OC(OC2CC3(C)C4CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC75CC47CCC3(C)C2C(C)CC(O)C(O)C(O)(C)C)C(O)C(O)C1O

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found in taxon

Actaea elata

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stated in

Five new triterpene bisglycosides with acyclic side chains from the rhizomes of Cimicifuga foetida L.

Identifiers

InChI

InChI=1S/C41H70O14/c1-19(14-20(43)33(50)37(4,5)51)27-22(53-35-32(49)30(47)29(46)23(16-42)54-35)15-39(7)25-9-8-24-36(2,3)26(55-34-31(48)28(45)21(44)17-52-34)10-11-40(24)18-41(25,40)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3

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InChIKey

TWFIOWHNPOYCEC-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110190184)

2-(Hydroxymethyl)-6-[[7,7,12,16-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)-6-(3,4,5-trihydroxyoxan-2-yl)oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol

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Identifiers

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