1H-Cyclohepta[1,2-a:5,4-a′]dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-, 3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-, ≥98%

cas: 1260-05-5 — see every product listed under this CAS number, including other names

1H-Cyclohepta[1,2-a:5,4-a′]dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-, 3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-, ≥98% (CAS 1260-05-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

• 2D
• 3D

[(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] acetate (CAS 1260-05-5) is a chemical compound with the molecular formula C32H52O3 and a molecular weight of 484.8 g/mol. IUPAC name: [(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] acetate. InChIKey: JTMRPEBSVBAWGS-UFEYJMCTSA-N.

Identity

Molecular formula	C32H52O3
Molecular weight	484.8 g/mol
IUPAC name	[(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] acetate
InChIKey	JTMRPEBSVBAWGS-UFEYJMCTSA-N
SMILES	CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C[C@@]3(CC[C@H]2C1(C)C)C)C

Computed by PubChem (NCBI)

Synonyms: Phlegmanol C, C(14a)-Homo-27-norgammacer-14-ene-3beta,21beta-diol 3-acetate, orb1681916, C(14a)-Homo-27-norgammacer-14-ene-3|A,21|A-diol 3-acetate, 21-epi-Serratenediol 3-acetate; 21-Hydroxyserrat-14-en-3-yl acetate

Isomers (same molecular formula)

[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] tridecanoate C₃₂H₅₂O₃

[17-(5-hydroxy-6-methylhept-6-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C₃₂H₅₂O₃

[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate C₃₂H₅₂O₃

[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate C₃₂H₅₂O₃

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C₃₂H₅₂O₃