butyrospermol

Properties Image MNX_ID MNXM45045 reference metacycM:CPD-13279 formula C30H50O global charge 0 mol weight 426.729 InChIKey DICCPNLDOZNSML-DNHVLNGWSA-N InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22?,23?,25+,26+,28-,29+,30-/m1/s1 SMILES CC(C)=CCC[C@@H](C)C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@@]12C MNX internals InChI (mnx) InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22?,23?,25+,26+,28-,29+,30-/m1/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:11][C@@H:21]([CH3:3])[CH:22]1[CH2:14][CH2:18][C@:30]2([CH3:8])[C:24]3=[CH:12][CH2:13][C@H:25]4[C:27]([CH3:4])([CH3:5])[C@@H:26]([OH:31])[CH2:16][CH2:17][C@:28]4([CH3:6])[CH:23]3[CH2:15][CH2:19][C@@:29]12[CH3:7]

Parent-child relations graph

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