Feedback

(25S)-5beta-spirostan-3beta-ol

Properties

Image

Occurences in reactions

MNX_ID

MNXM3741

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₇H₄₄O₃

charge

mass

416.32905

reference

chebi:15578

InChIKey

GMBQZIIUCVWOCD-WWASVFFGSA-N

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+/m0/s1

SMILES

C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15578 chebi:15578	(25S)-5beta-spirostan-3beta-ol (25S)-5beta-Spirostan-3beta-ol (3beta,5beta,25S)-spirostan-3-ol Parigenin Sarsasapogenin
metacyc.compound:CPD-1946 metacycM:CPD-1946	(25S)-5-beta-spirostan-3-beta-ol sarsasopogenin
lipidmaps:LMST01080007 lipidmapsM:LMST01080007	Sarsasapogenenin (25S)-5beta-spirostan-3beta-ol O3 Parigenin ST 27:2 Sarsasapogenin
hmdb:HMDB0030024	Sarsasapogenin (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16'-ol (25S)-5b-Spirostan-3b-ol (25S)-5beta-Spirostan-3beta-ol (25S)-5beta-spirostan-3beta-ol (3b,5b,25S)-Spirostan-3-ol (3beta,5beta,25S)-Spirostan-3-ol (3beta,5beta,25S)-spirostan-3-ol Epi-sarsasapogenin Epismilagenin Parigenin Sarsaponin Sarsasapogenin, (3beta,5alpha,25R)-isomer Sarsasapogenin, (3beta,5alpha,25S)-isomer Sarsasapogenin, (3beta,5beta)-isomer Sarsasapogenin, (3beta,5beta,25R)-isomer Sarsasapogenin, (3beta,5beta,25S)-isomer Sarsasapogenine Smilagenin Spirostan-3-ol, (3beta,5beta,25S)- (9ci) Tigogenin sarsasapogenin
seed.compound:cpd02460 seedM:cpd02460	Sarsasapogenin (25S)-5-beta-spirostan-3-beta-ol (25S)-5beta-Spirostan-3beta-ol sarsasopogenin
kegg.compound:C03963 keggC:C03963	Sarsasapogenin (25S)-5beta-Spirostan-3beta-ol
hmdb:HMDB30024 chebi:10854 chebi:178 chebi:18537 keggC:M_C03963 seedM:M_cpd02460	secondary/obsolete/fantasy identifier