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(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one

PropertiesImage
MNX_IDMNXM115068 Image of MNXM115068
referencechebi:167967
formulaC29H46O5
global charge0
mol weight474.682
InChIKeyPGCCXLDWXXFVMP-UHFFFAOYSA-N
InChIInChI=1S/C29H46O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-24,30-31,33H,6-17H2,1-5H3
SMILESCCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1
MNX internals
InChI (mnx)InChI=1/C29H46O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-24,30-31,33H,6-17H2,1-5H3/t18?,22?,23?,24?,25?,26?,27?,29? Image of MNXM115068
SMILES (mnx)[CH3:1][CH2:6][C:21]([CH:22]1[CH2:15][CH:18]([CH3:2])[C:29]2([CH2:14][CH2:13][C:26]3([CH3:4])[C:20]4=[C:19]([CH2:9][CH2:12][C:27]32[CH3:5])[C:25]2([CH3:3])[CH2:11][CH2:10][CH:24]([OH:33])[C:28]([CH2:16][OH:30])([CH2:17][OH:31])[CH:23]2[CH2:8][CH2:7]4)[O:34]1)=[O:32]
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:167967
chebi:167967
PGCCXLDWXXFVMP-UHFFFAOYSA-N 		(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one
1-[3-hydroxy-4,4-bis(hydroxymethyl)-4',10,13,14-tetramethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one
hmdb:HMDB0035221
PGCCXLDWXXFVMP-UHFFFAOYSA-N 		(3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one
(3b,17a,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one
(3beta,17alpha,23S)-17,23-epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one
1-[5'-hydroxy-6',6'-bis(hydroxymethyl)-2',3,11',15'-tetramethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-en-5-yl]propan-1-one

hmdb:HMDB35221 		secondary/obsolete/fantasy identifier