(2S,3S,6R)-6-[(3R,4S,6R,9S,10S)-3,9-dimethyl-4-[(3S)-3-methyl-4-oxidanylidene-pentyl]-5,11-dioxaspiro[5.5]undecan-10-yl]-2-methyl-3-oxidanyl-heptanoic acid

Systemtic Name: (2S,3S,6R)-6-[(3R,4S,6R,9S,10S)-3,9-dimethyl-4-[(3S)-3-methyl-4-oxidanylidene-pentyl]-5,11-dioxaspiro[5.5]undecan-10-yl]-2-methyl-3-oxidanyl-heptanoic acid Openeye Name: (2S,3S,6R)-6-[(3R,4S,6R,9S,10S)-3,9-dimethyl-4-[(3S)-3-methyl-4-oxo-pentyl]-5,11-dioxaspiro[5.5]undecan-10-yl]-3-hydroxy-2-methyl-heptanoic acid CAS Name: (2S,3S,6R)-6-[(3R,4S,6R,9S,10S)-3,9-dimethyl-4-[(3S)-3-methyl-4-oxopentyl]-5,11-dioxaspiro[5.5]undecan-10-yl]-3-hydroxy-2-methylheptanoic acid IUPAC Name: (2S,3S,6R)-6-[(3R,4S,6R,9S,10S)-3,9-dimethyl-4-[(3S)-3-methyl-4-oxopentyl]-5,11-dioxaspiro[5.5]undecan-10-yl]-3-hydroxy-2-methylheptanoic acid Traditional Name: (2S,3S,6R)-3-hydroxy-6-[(3R,4S,6R,9S,10S)-4-[(3S)-4-keto-3-methyl-pentyl]-3,9-dimethyl-5,11-dioxaspiro[5.5]undecan-10-yl]-2-methyl-enanthic acid Formula: C25H44O6 MolecularWeight: 440.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC(C(O2)C(C)CCC(C(C)C(=O)O)O)C)OC1CCC(C)C(=O)C

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)O)O)C)O[C@H]1CC[C@H](C)C(=O)C

InChI

InChI=1S/C25H44O6/c1-15(20(6)26)8-10-22-16(2)11-13-25(30-22)14-12-18(4)23(31-25)17(3)7-9-21(27)19(5)24(28)29/h15-19,21-23,27H,7-14H2,1-6H3,(H,28,29)/t15-,16+,17+,18-,19-,21-,22-,23-,25+/m0/s1