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(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one

PropertiesImage
MNX_IDMNXM115069 Image of MNXM115069
referencechebi:156166
formulaC29H46O4
global charge0
mol weight458.683
InChIKeyWKRCCXBCFBIWPN-UHFFFAOYSA-N
InChIInChI=1S/C29H46O4/c1-7-21(31)22-16-18(2)29(33-22)15-14-27(5)20-8-9-23-25(3,19(20)10-13-28(27,29)6)12-11-24(32)26(23,4)17-30/h18,22-24,30,32H,7-17H2,1-6H3
SMILESCCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(C)(CO)C2CC4)O1
MNX internals
InChI (mnx)InChI=1/C29H46O4/c1-7-21(31)22-16-18(2)29(33-22)15-14-27(5)20-8-9-23-25(3,19(20)10-13-28(27,29)6)12-11-24(32)26(23,4)17-30/h18,22-24,30,32H,7-17H2,1-6H3/t18?,22?,23?,24?,25?,26?,27?,28?,29? Image of MNXM115069
SMILES (mnx)[CH3:1][CH2:7][C:21]([CH:22]1[CH2:16][CH:18]([CH3:2])[C:29]2([CH2:15][CH2:14][C:27]3([CH3:5])[C:20]4=[C:19]([CH2:10][CH2:13][C:28]32[CH3:6])[C:25]2([CH3:3])[CH2:12][CH2:11][CH:24]([OH:32])[C:26]([CH3:4])([CH2:17][OH:30])[CH:23]2[CH2:9][CH2:8]4)[O:33]1)=[O:31]
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:156166
chebi:156166
WKRCCXBCFBIWPN-UHFFFAOYSA-N 		(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one
1-[3-hydroxy-4-(hydroxymethyl)-4,4',10,13,14-pentamethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one
hmdb:HMDB0035142
WKRCCXBCFBIWPN-UHFFFAOYSA-N 		(3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one
(3b,17a,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one
(3beta,17alpha,23S)-17,23-epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one
1-[5'-hydroxy-6'-(hydroxymethyl)-2',3,6',11',15'-pentamethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-en-5-yl]propan-1-one

hmdb:HMDB35142 		secondary/obsolete/fantasy identifier