(1alpha,3beta,20S,22R,24S,25S)-Pubescenin

Properties Image MNX_ID MNXM114873 reference chebi:176249 formula C34H52O10 global charge 0 mol weight 620.78 InChIKey OVHWHMIFHTVFRU-UHFFFAOYSA-N InChI InChI=1S/C34H52O10/c1-16(23-14-32(3)34(5,44-32)30(40)43-23)20-8-9-21-19-7-6-17-12-18(41-29-28(39)27(38)26(37)24(15-35)42-29)13-25(36)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-29,35-39H,7-15H2,1-5H3 SMILES CC(C1CC2(C)OC2(C)C(=O)O1)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CC(O)C4(C)C3CCC12C MNX internals InChI (mnx) InChI=1/C34H52O10/c1-16(23-14-32(3)34(5,44-32)30(40)43-23)20-8-9-21-19-7-6-17-12-18(41-29-28(39)27(38)26(37)24(15-35)42-29)13-25(36)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-29,35-39H,7-15H2,1-5H3/t16?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34? SMILES (mnx) [CH3:1][CH:16]([CH:20]1[CH2:8][CH2:9][CH:21]2[CH:19]3[CH2:7][CH:6]=[C:17]4[CH2:12][CH:18]([O:41][CH:29]5[CH:28]([OH:39])[CH:27]([OH:38])[CH:26]([OH:37])[CH:24]([CH2:15][OH:35])[O:42]5)[CH2:13][CH:25]([OH:36])[C:33]4([CH3:4])[CH:22]3[CH2:10][CH2:11][C:31]12[CH3:2])[CH:23]1[CH2:14][C:32]2([CH3:3])[C:34]([CH3:5])([C:30](=[O:40])[O:43]1)[O:44]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0