Molecule ID: 53354921

IUPAC Name: (3R,4E,15Z,28E,30R)-dotriaconta-4,15,28-trien-1,31-diyne-3,30-diol

Description: The molecule is an enyne that is (4E,15Z,28E)-dotriaconta-4,15,28-triene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3R,30R-stereoiosmer). It has been isolated from the marine sponge Petrosia. It has a role as an antineoplastic agent, an animal metabolite and a marine metabolite. It is a diol, an enyne, a secondary alcohol and a terminal acetylenic compound.

SMILES: C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCC/C=C/[C@@H](O)C#C

SELFIES: [C][#C][C@H1][Branch1][C][O][/C][=C][/C][C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C@@H1][Branch1][C][O][C][#C]

InChI: InChI=1S/C32H52O2/c1-3-31(33)29-27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)4-2/h1-2,5,7,27-34H,6,8-26H2/b7-5-,29-27+,30-28+/t31-,32-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 10.9