Diosgenin

enlarge

Systematic / IUPAC Name: (3β,25R)-Spirost-5-en-3-ol

ID: Reference965

Other Names: 3β-Hydroxy-5-spirostene;
Nitogenin;
(20R,25R)-Spirost-5-en-3β-ol;
Spirost-5-en-3-β-ol, (25R)-;
(25R)-Spirost-5-en-3β-ol

Formula: C27H42O3

Class: Endogenous Metabolites

Spectral Data

Diosgenin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 191
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 6/6/2018 9:06:42 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H42O3/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/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI Key WQLVFSAGQJTQCK-VKROHFNGSA-N
Canonical SMILES OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C
CAS 512049
Splash
Other Names 3β-Hydroxy-5-spirostene;
Nitogenin;
(20R,25R)-Spirost-5-en-3β-ol;
Spirost-5-en-3-β-ol, (25R)-;
(25R)-Spirost-5-en-3β-ol;
Spirost-5-en-3-ol, (3β,25S)-

In Other Databases

ChEBI CHEBI:4629
KEGG C08898
PubChem 99474
Wikipedia Diosgenin
ChemIDPlus 000512061
ChEMBL CHEMBL412437
ChemSpider 89870