(2S,3S)-1-[(1R,5R,6R)-6-(hydroxymethyl)-2-methyl-5-propan-2-yl-cyclohex-2-en-1-yl]-3-methyl-pent-4-yne-2,3-diol

Systemtic Name: (2S,3S)-1-[(1R,5R,6R)-6-(hydroxymethyl)-2-methyl-5-propan-2-yl-cyclohex-2-en-1-yl]-3-methyl-pent-4-yne-2,3-diol Openeye Name: (2S,3S)-1-[(1R,5R,6R)-6-(hydroxymethyl)-5-isopropyl-2-methyl-cyclohex-2-en-1-yl]-3-methyl-pent-4-yne-2,3-diol CAS Name: (2S,3S)-1-[(1R,5R,6R)-6-(hydroxymethyl)-2-methyl-5-propan-2-yl-1-cyclohex-2-enyl]-3-methyl-4-pentyne-2,3-diol IUPAC Name: (2S,3S)-1-[(1R,5R,6R)-6-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-3-methylpent-4-yne-2,3-diol Traditional Name: (2S,3S)-1-[(1R,5R,6R)-5-isopropyl-2-methyl-6-methylol-cyclohex-2-en-1-yl]-3-methyl-pent-4-yne-2,3-diol Formula: C17H28O3 MolecularWeight: 280.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1CC(C(C)(C#C)O)O)CO)C(C)C

Isomeric SMILES

CC1=CC[C@@H]([C@H]([C@H]1C[C@@H]([C@](C)(C#C)O)O)CO)C(C)C

InChI

InChI=1S/C17H28O3/c1-6-17(5,20)16(19)9-14-12(4)7-8-13(11(2)3)15(14)10-18/h1,7,11,13-16,18-20H,8-10H2,2-5H3/t13-,14+,15-,16+,17+/m1/s1