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5alpha-bufanolide

PropertiesImage
MNX_IDMNXM38337 Image of MNXM38337
referencechebi:35540
formulaC24H38O2
global charge0
mol weight358.566
InChIKeyPXOHOSHERMSUCD-SIEHIEJTSA-N
InChIInChI=1S/C24H38O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h16-21H,3-15H2,1-2H3/t16-,17+,18-,19+,20+,21-,23-,24+/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2[C@H]1CCC(=O)OC1
MNX internals
InChI (mnx)InChI=1/C24H38O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h16-21H,3-15H2,1-2H3/t16-,17+,18-,19+,20+,21-,23-,24+/m0/s1 Image of MNXM38337
SMILES (mnx)[CH3:1][C@:23]12[CH2:13][CH2:4][CH2:3][CH2:5][C@@H:17]1[CH2:7][CH2:8][C@H:18]1[C@H:20]3[CH2:10][CH2:9][C@H:19]([C@H:16]4[CH2:6][CH2:11][C:22](=[O:25])[O:26][CH2:15]4)[C@@:24]3([CH3:2])[CH2:14][CH2:12][C@@H:21]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:35540
chebi:35540
PXOHOSHERMSUCD-SIEHIEJTSA-N
5alpha-bufanolide