((1R,2R,3R,4S,7R,9S,10S,11R,12R,15S)-2,4,9,11,12-Pentaacetyloxy-10,14,17,17-tetramethyl-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-1 3-en-15-yl) acetate

cas: 57672-78-3 — see every product listed under this CAS number, including other names

((1R,2R,3R,4S,7R,9S,10S,11R,12R,15S)-2,4,9,11,12-Pentaacetyloxy-10,14,17,17-tetramethyl-6-oxatetracyclo(11.3.1.03,10.04,7)heptadec-1 3-en-15-yl) acetate (CAS 57672-78-3) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 50mg. Offered by: Biosynth.

• 2D
• 3D

1-dehydroxybaccatin IV is an acetate ester and a tetracyclic diterpenoid.

Source: ChEBI

Identity

Molecular formula	C32H44O13
Molecular weight	636.7 g/mol
IUPAC name	[(1R,2R,3R,4S,7R,9S,10S,11R,12R,15S)-2,4,9,11,12-pentaacetyloxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] acetate
InChIKey	GHSKUVKACGPNGN-CZYGJQDOSA-N
SMILES	CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: 1-Dehydroxybaccatin IV, orb1683985, 1|A pound-Dehydroxybaccatin IV

Isomers (same molecular formula)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate C₃₂H₄₄O₁₃

[(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-pentaacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate C₃₂H₄₄O₁₃