[(1S,3S,7S,8S,8aR)-7-methyl-3-oxidanyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-diethoxyphosphorylbutanoate

Systemtic Name: [(1S,3S,7S,8S,8aR)-7-methyl-3-oxidanyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-diethoxyphosphorylbutanoate Openeye Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-diethoxyphosphorylbutanoate CAS Name: (2S)-2-diethoxyphosphorylbutanoic acid [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-diethoxyphosphorylbutanoate Traditional Name: (2S)-2-diethoxyphosphorylbutyric acid [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C26H41O9P MolecularWeight: 528.572101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)O)P(=O)(OCC)OCC

Isomeric SMILES

CC[C@@H](C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O)P(=O)(OCC)OCC

InChI

InChI=1S/C26H41O9P/c1-5-23(36(31,32-6-2)33-7-3)26(30)35-22-14-18(27)12-17-9-8-16(4)21(25(17)22)11-10-20-13-19(28)15-24(29)34-20/h8-9,12,16,18-23,25,27-28H,5-7,10-11,13-15H2,1-4H3/t16-,18+,19+,20+,21-,22-,23-,25-/m0/s1