cucurbitadienol

Properties Image MNX_ID MNXM5105 reference chebi:62456 formula C30H50O global charge 0 mol weight 426.729 InChIKey WSPRAEIJBDUDRX-FBJXRMALSA-N InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22-,24-,25-,26+,28+,29-,30+/m1/s1 SMILES CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C MNX internals InChI (mnx) InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22-,24-,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])[C@H:22]1[CH2:16][CH2:17][C@@:30]2([CH3:8])[C@@H:25]3[CH2:14][CH:12]=[C:23]4[C@@H:24]([CH2:13][CH2:15][C@H:26]([OH:31])[C:27]4([CH3:4])[CH3:5])[C@:28]3([CH3:6])[CH2:18][CH2:19][C@:29]12[CH3:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 13 in models (compartimentalized) 0