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Pubesenolide

PropertiesImage
MNX_IDMNXM130082 Image of MNXM130082
referencechebi:168182
formulaC28H42O5
global charge0
mol weight458.639
InChIKeyFYYIHVSEGVWNCF-UHFFFAOYSA-N
InChIInChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3
SMILESCC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1
MNX internals
InChI (mnx)InChI=1/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16?,18?,19?,21?,22?,23?,24?,25?,27?,28? Image of MNXM130082
SMILES (mnx)[CH3:1][C:15]1=[C:20]([CH2:14][OH:29])[C:26](=[O:32])[O:33][CH:24]([CH:16]([CH3:2])[CH:21]2[CH2:7][CH2:8][CH:22]3[CH:19]4[CH2:6][CH:5]=[C:17]5[CH2:12][CH:18]([OH:30])[CH2:13][CH:25]([OH:31])[C:28]5([CH3:4])[CH:23]4[CH2:9][CH2:10][C:27]23[CH3:3])[CH2:11]1
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:168182
chebi:168182
FYYIHVSEGVWNCF-UHFFFAOYSA-N 		Pubesenolide
2-[1-(1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
hmdb:HMDB0033728
FYYIHVSEGVWNCF-UHFFFAOYSA-N 		Pubesenolide
3,30-Dihydroxy-12-oleanen-11-one
6-(1-{3,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
6-(1-{3,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one
Sominone

hmdb:HMDB33728 		secondary/obsolete/fantasy identifier