Molecule ID: 71306325

IUPAC Name: (2R,3S)-1-[(3R,4S)-6-ethyl-4,6-dihydroxyoxan-3-yl]-3-hydroxy-2-(hydroxymethyl)-3-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]propan-1-one

Description: The molecule is a member of the class of oxanes isolated from the Mediterranean bryozoan Myriapora truncata and has been shown to exhibit inhibitory activity against murine leukemia cells. It has a role as a metabolite and an antineoplastic agent. It is a member of oxanes, a secondary alcohol, an epoxide, a primary alcohol, a beta-hydroxy ketone and a lactol. It derives from a polyketide.

SMILES: C/C=C\[C@H](C)[C@H]1O[C@]1(C)[C@@H](O)[C@@H](CO)C(=O)[C@@H]1COC(O)(CC)C[C@@H]1O

SELFIES: [C][/C][=C][\C@H1][Branch1][C][C][C@H1][O][C@][Ring1][Ring1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][C@@H1][C][O][C][Branch1][C][O][Branch1][Ring1][C][C][C][C@@H1][Ring1][=Branch2][O]

InChI: InChI=1S/C19H32O7/c1-5-7-11(3)17-18(4,26-17)16(23)12(9-20)15(22)13-10-25-19(24,6-2)8-14(13)21/h5,7,11-14,16-17,20-21,23-24H,6,8-10H2,1-4H3/b7-5-/t11-,12-,13+,14-,16-,17+,18+,19?/m0/s1

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 0.3