(1S,2R,5R,7R,8R,10S,11R,14S,15S,20S)-2,6,6,10,14,17,17-heptamethyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-23-ene-7,8-diol

cas: 66107-60-6 — see every product listed under this CAS number, including other names

(1S,2R,5R,7R,8R,10S,11R,14S,15S,20S)-2,6,6,10,14,17,17-heptamethyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-23-ene-7,8-diol (CAS 66107-60-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: Chemat.

• 2D
• 3D

(1S,2R,5R,7R,8R,10S,11R,14S,15S,20S)-2,6,6,10,14,17,17-heptamethyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-23-ene-7,8-diol (CAS 66107-60-6) is a chemical compound with the molecular formula C29H46O4 and a molecular weight of 458.7 g/mol. IUPAC name: (1S,2R,5R,7R,8R,10S,11R,14S,15S,20S)-2,6,6,10,14,17,17-heptamethyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-23-ene-7,8-diol. InChIKey: FMQSPIDOGLAJKQ-BLZAXGAYSA-N.

Identity

Molecular formula	C29H46O4
Molecular weight	458.7 g/mol
IUPAC name	(1S,2R,5R,7R,8R,10S,11R,14S,15S,20S)-2,6,6,10,14,17,17-heptamethyl-21,22-dioxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-23-ene-7,8-diol
InChIKey	FMQSPIDOGLAJKQ-BLZAXGAYSA-N
SMILES	C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@@]4([C@]25C=C[C@@]6([C@H]4CC(CC6)(C)C)OO5)C)(C[C@H]([C@@H](C3(C)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: 14,17-Epidioxy-28-nor-15-taraxerene-2,3-diol, Baccatin

Isomers (same molecular formula)

[(7R,8R,9S,10R,13S,14S,17S)-7-(9-hydroxynonyl)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C₂₉H₄₆O₄

(3E,5E)-6-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hepta-3,5-dien-2-one C₂₉H₄₆O₄

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid C₂₉H₄₆O₄

[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxycyclohexyl] acetate C₂₉H₄₆O₄

ethyl (5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoate C₂₉H₄₆O₄

(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C₂₉H₄₆O₄

[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate C₂₉H₄₆O₄

[(3R,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C₂₉H₄₆O₄

1-[(2'S,3S,4S,4'R,5R,10S,13S,14S,17S)-3-hydroxy-4-(hydroxymethyl)-4,4',10,13,14-pentamethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one C₂₉H₄₆O₄

[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate C₂₉H₄₆O₄