Molecule ID: 16723569

IUPAC Name: [(1S,2S,4S,5R,7E,9S,11S,13S,15R,16R)-9,15-diacetyloxy-4,8,13-trimethyl-17-methylidene-18-oxo-3,12,19-trioxatetracyclo[14.3.0.02,4.011,13]nonadec-7-en-5-yl] acetate

Description: The molecule is a cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. It has a role as an antineoplastic agent and a coral metabolite. It is a gamma-lactone, an acetate ester, a cembrane diterpenoid, an epoxide and a macrocycle.

SMILES: C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(C)=O)C[C@]1(C)O[C@H]1C[C@H](OC(C)=O)/C(C)=C/C[C@@H](OC(C)=O)[C@]1(C)O[C@@H]21

SELFIES: [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@][Branch1][C][C][O][C@H1][Ring1][Ring2][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][/C][Branch1][C][C][=C][/C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][C][C][O][C@@H1][Ring2][Ring1][#C][Ring1][Ring2]

InChI: InChI=1S/C26H34O10/c1-12-8-9-19(33-16(5)29)26(7)23(36-26)22-21(13(2)24(30)34-22)18(32-15(4)28)11-25(6)20(35-25)10-17(12)31-14(3)27/h8,17-23H,2,9-11H2,1,3-7H3/b12-8+/t17-,18+,19+,20-,21+,22-,23-,25-,26-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: 1.7