(Q105299324)

English

[18'-(3-Acetyloxy-4,5-dihydroxyoxan-2-yl)oxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate

group of stereoisomers with the chemical formula C₃₉H₅₈O₁₁

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Statements

instance of

group of stereoisomers

0 references

subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

702.397912676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₈O₁₁

0 references

canonical SMILES

O=C(OC1CC23CC43CCC(OC5OCC(O)C(O)C5OC(=O)C)C(C)(C)C4CCC2C6(C)CC7OC8(OCC9(OC89)C)CC(C)C7C16C)C

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found in taxon

Actaea elata

1 reference

stated in

Cycloartane triterpene saponins from the roots of Cimicifuga foetida

Identifiers

InChI

InChI=1S/C39H58O11/c1-19-13-39(32-35(7,50-32)18-45-39)49-23-14-34(6)25-10-9-24-33(4,5)26(48-31-30(47-21(3)41)29(43)22(42)16-44-31)11-12-37(24)17-38(25,37)15-27(46-20(2)40)36(34,8)28(19)23/h19,22-32,42-43H,9-18H2,1-8H3

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InChIKey

VYTIKIINPOAJCZ-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VYTIKIINPOAJCZ-UHFFFAOYSA-N

(Q105299324)

[18'-(3-Acetyloxy-4,5-dihydroxyoxan-2-yl)oxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate

Statements

Identifiers

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