Cimicifugoside
CAS Registry Number®
66176-93-0
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CAS Name
CimicifugosideMolecular Formula
C37H54O11Molecular Mass
674.82Cite this Page
Cimicifugoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=66176-93-0 (retrieved ) (CAS RN: 66176-93-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30?,32+,33-,34+,35-,36+,37-/m1/s1
InChIKey
InChIKey=XUJMHSCMPCZWOV-LAQQPNPASA-N
SMILES
C[C@]12C=3[C@]4([C@]5(C4)[C@@](CC3)(C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)CC5)[H])C[C@@H](OC(C)=O)[C@]1(C)[C@@]7([C@](C2)(O[C@@]8(C[C@H]7C)[C@]9([C@](C)(O9)C(O)O8)[H])[H])[H]
Canonical SMILES
O=C(OC1CC23C(=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC43C2)C6(C)CC7OC8(OC(O)C9(OC89)C)CC(C)C7C16C)C
Other Names for this Substance
- β-D-Xylopyranoside, (3β,12β,16β,23R,24R,25S)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanost-7-en-3-yl
- (3β,12β,16β,23R,24R,25S)-12-(Acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanost-7-en-3-yl β-D-xylopyranoside
- Cimicifugoside
