Smilagenin
CAS Registry Number®
126-18-1
No image available.
CAS Name
SmilageninMolecular Formula
C27H44O3Molecular Mass
416.64Cite this Page
Smilagenin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=126-18-1 (retrieved ) (CAS RN: 126-18-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
185 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey
InChIKey=GMBQZIIUCVWOCD-UQHLGXRBSA-N
SMILES
C[C@@H]1[C@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@]6(C)[C@](CC5)(C[C@@H](O)CC6)[H])[H])[H])[H])[H])[H])CC[C@@H](C)CO2
Canonical SMILES
OC1CCC2(C)C(CCC3C2CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C1
Other Names for this Substance
- Spirostan-3-ol, (3β,5β,25R)-
- Smilagenin
- 5β-Spirostan-3β-ol, (25R)-
- Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirostan-3-ol deriv.
- (3β,5β,25R)-Spirostan-3-ol
