(Q105238856)

English

[(1R,3R,4R,5R,6R,10S,12S,13S,16S,18S,21R)-4,6,12,17,17-pentamethyl-8-oxo-18-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4,6,12,17,17-Pentamethyl-8-oxo-18-(3,4,5-trihydroxyoxan-2-yl)oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

590.34548318 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₀O₉

0 references

canonical SMILES

O=C(OC1CC23CC43CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC2C6(C)CC7OC(=O)CC(C)C7C16C)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]4CC[C@H]3[C@]2(C)C[C@@H]3OC(=O)C[C@@H](C)[C@@H]3[C@@]12C

0 references

found in taxon

Actaea dahurica

1 reference

stated in

Two new cyclolanostanol xylosides from the aerial parts of Cimicifuga dahurica

Identifiers

InChI

InChI=1S/C33H50O9/c1-16-11-24(36)41-19-12-30(5)21-8-7-20-29(3,4)22(42-28-27(38)26(37)18(35)14-39-28)9-10-32(20)15-33(21,32)13-23(40-17(2)34)31(30,6)25(16)19/h16,18-23,25-28,35,37-38H,7-15H2,1-6H3/t16-,18+,19+,20-,21+,22+,23-,25+,26+,27-,28+,30+,31-,32-,33+/m1/s1

0 references

InChIKey

RKTWPXXLEHCPIO-ZCADTKORSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RKTWPXXLEHCPIO-ZCADTKORSA-N

1 reference

(Q105238856)

[(1R,3R,4R,5R,6R,10S,12S,13S,16S,18S,21R)-4,6,12,17,17-pentamethyl-8-oxo-18-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-3-yl] acetate

Statements

Identifiers

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