Molecule ID: 54586934

IUPAC Name: (2S,3S)-3-hydroxy-2-[(2S,4S,6S,8S,10R)-2,4,6,8,10-pentahydroxypentacosyl]-2,3-dihydropyran-6-one

Description: The molecule is a member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a hydroxy group at position 5 and a 2,4,6,8,10-pentahydroxypentacosyl group at position 6. It has been isolated from Cryptocarya species. It has a role as a metabolite and a plant metabolite. It is a member of 2-pyranones and a hexol.

SMILES: CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O

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

InChI: InChI=1S/C30H56O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(31)18-24(32)19-25(33)20-26(34)21-27(35)22-29-28(36)16-17-30(37)38-29/h16-17,23-29,31-36H,2-15,18-22H2,1H3/t23-,24+,25+,26+,27+,28+,29+/m1/s1

Molecular Properties:
- Polar Surface Area: 148.0 Ų
- LogP: 6.1