(Q104971917)

English

(22R,23R,24R)-3beta-(alpha-L-Arabinopyranosyloxy)-16beta,23:22,25-diepoxy-9,19-cyclolanostane-12beta,23,24-triol 12-acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[21,22-Dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-(3,4,5-trihydroxyoxan-2-yl)oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosan-14-yl] acetate

1 reference

based on heuristic

inferred from SMILES

678.397912676 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,5R,7S,10R,12R,14R,15R,16R,17S,18R,21R,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosan-14-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2S,5R,7S,10R,12R,14R,15R,16R,17S,18R,21S,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosan-14-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

cimiracemoside h

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₅₈O₁₁

0 references

canonical SMILES

O=C(OC1CC23CC43CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC2C6(C)CC7OC8(O)C(O)C(OC8C(C)C7C16C)(C)C)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]3O[C@@]4(O)[C@H](OC(C)(C)[C@H]4O)[C@@H](C)[C@@H]3[C@@]12C

0 references

Actaea racemosa

1 reference

Cycloartane glycosides from the rhizomes of Cimicifuga racemosa and their cytotoxic activities

Identifiers

InChI=1S/C37H58O11/c1-17-25-20(47-37(43)28(17)48-32(5,6)30(37)42)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,29-,30+,33-,34+,35+,36-,37-/m0/s1

0 references

CXMFZKKIWJFZLS-KURDPTSWSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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