4alpha,14alpha-dimethyl-porifersta-8,25(27)-dienol

Properties Image MNX_ID MNXM114459 reference metacycM:CPD-14905 formula C31H52O global charge 0 mol weight 440.756 InChIKey UULZCTIPCNJXAT-HRAIJHJPSA-N InChI InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h21-25,28,32H,2,9-19H2,1,3-8H3/t21-,22+,23+,24-,25+,28+,29+,30-,31+/m1/s1 SMILES C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 MNX internals InChI (mnx) InChI=1/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h21-25,28,32H,2,9-19H2,1,3-8H3/t21-,22+,23+,24-,25+,28+,29+,30-,31+/m1/s1 SMILES (mnx) [CH3:1][CH2:9][C@@H:23]([CH2:11][CH2:10][C@@H:21]([CH3:4])[C@H:24]1[CH2:14][CH2:18][C@@:31]2([CH3:8])[C:27]3=[C:26]([CH2:15][CH2:19][C@:30]12[CH3:7])[C@@:29]1([CH3:6])[CH2:17][CH2:16][C@H:28]([OH:32])[C@@H:22]([CH3:5])[C@@H:25]1[CH2:12][CH2:13]3)[C:20](=[CH2:2])[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0