(Q110194649)

English

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

group of stereoisomers with the chemical formula C₄₁H₇₀O₁₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

802.47147154 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₇₀O₁₅

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canonical SMILES

OCC1OC(OC(C(O)C(O)C(O)(C)C)C(C)C2C(O)CC3(C)C4CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC75CC47CCC23C)C(O)C(O)C1O

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found in taxon

Actaea elata

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C41H70O15/c1-18(32(31(50)33(51)37(4,5)52)56-35-30(49)28(47)27(46)21(15-42)54-35)25-19(43)14-39(7)23-9-8-22-36(2,3)24(55-34-29(48)26(45)20(44)16-53-34)10-11-40(22)17-41(23,40)13-12-38(25,39)6/h18-35,42-52H,8-17H2,1-7H3

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InChIKey

DMKFLQFRXXCTNK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DMKFLQFRXXCTNK-UHFFFAOYSA-N

(Q110194649)

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

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Identifiers

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