salaspermic acid

Properties Image MNX_ID MNXM108668 reference chebi:66153 formula C30H48O4 global charge 0 mol weight 472.71 InChIKey ZXENWDWQTWYUGY-UUZWCOCASA-N InChI InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30+/m1/s1 SMILES C[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)[C@@H]2CC[C@]1(O)OC3 MNX internals InChI (mnx) InChI=1/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24-,25-,26-,27-,28+,29+,30+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[C@@:29]23[CH2:9][CH2:7][C@H:20]4[C@@:26]([CH3:4])([CH2:14][CH2:16][C@@:28]5([CH3:6])[C@@H:22]6[CH2:17][C@:25]([CH3:3])([C:23](=[O:31])[OH:32])[CH2:12][CH2:11][C@:24]6([CH3:2])[CH2:13][CH2:15][C@:27]45[CH3:5])[C@@H:21]2[CH2:8][CH2:10][C@:30]1([OH:33])[O:34][CH2:18]3

Parent-child relations graph

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