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

PropertiesImage
MNX_IDMNXM3741 Image of MNXM3741
referencechebi:15578
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyGMBQZIIUCVWOCD-WWASVFFGSA-N
InChIInChI=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
SMILESC[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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM3741
SMILES (mnx)[CH3:1][C@H:16]1[CH2:7][CH2:12][C@@:27]2([C@@H:17]([CH3:2])[C@H:24]3[C@H:23]([CH2:14][C@H:22]4[C@@H:20]5[CH2:6][CH2:5][C@@H:18]6[CH2:13][C@@H:19]([OH:28])[CH2:8][CH2:10][C@:25]6([CH3:3])[C@H:21]5[CH2:9][CH2:11][C@@:26]43[CH3:4])[O:30]2)[O:29][CH2:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15578
chebi:15578
GMBQZIIUCVWOCD-WWASVFFGSA-N 		(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
GMBQZIIUCVWOCD-WWASVFFGSA-N 		(25S)-5-beta-spirostan-3-beta-ol
sarsasopogenin

lipidmaps:LMST01080007
lipidmapsM:LMST01080007
GMBQZIIUCVWOCD-WWASVFFGSA-N 		Sarsasapogenenin
(25S)-5beta-spirostan-3beta-ol
O3
Parigenin
ST 27:2
Sarsasapogenin
hmdb:HMDB0030024
GMBQZIIUCVWOCD-WWASVFFGSA-N 		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
GMBQZIIUCVWOCD-WWASVFFGSA-N 		Sarsasapogenin
(25S)-5-beta-spirostan-3-beta-ol
(25S)-5beta-Spirostan-3beta-ol
sarsasopogenin

kegg.compound:C03963
keggC:C03963
GMBQZIIUCVWOCD-WWASVFFGSA-N 		Sarsasapogenin
(25S)-5beta-Spirostan-3beta-ol

hmdb:HMDB30024
chebi:10854
chebi:178
chebi:18537
keggC:M_C03963
seedM:M_cpd02460 		secondary/obsolete/fantasy identifier