porifersta-8,25(27)-dienol

Properties Image MNX_ID MNXM114548 reference metacycM:CPD-14903 formula C29H48O global charge 0 mol weight 412.702 InChIKey SIIPNKRMISTJGG-IXYHWDSJSA-N InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h20-23,25-26,30H,2,7-18H2,1,3-6H3/t20-,21+,22+,23+,25-,26+,28+,29-/m1/s1 SMILES C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 MNX internals InChI (mnx) InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h20-23,25-26,30H,2,7-18H2,1,3-6H3/t20-,21+,22+,23+,25-,26+,28+,29-/m1/s1 SMILES (mnx) [CH3:1][CH2:7][C@@H:21]([CH2:9][CH2:8][C@@H:20]([CH3:4])[C@H:25]1[CH2:12][CH2:13][C@H:26]2[C:24]3=[C:27]([CH2:15][CH2:17][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:16][CH2:14][C@H:23]([OH:30])[CH2:18][C@@H:22]1[CH2:10][CH2:11]3)[C:19](=[CH2:2])[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0