Products 1001100-69-1

CAS 1001100-69-1 appears in our catalog under these names: HE 3286, Bezisterim, 95.0%, (3β,7β,17α)-Pregn-5-en-20-yne-3,7,17-triol. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 10mg, 25mg, 50mg, 10mM/1mL, 100 mg, 5 mg, 50 mg, 25 mg.

HE 3286
GLPBio
  • size: 10mg, 25mg, 50mg
  • Variants: 3
from 2436.48
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Bezisterim, 95.0%
MedChemExpress
  • size: 10mM/1mL, 100 mg, 5 mg, 50 mg
  • Variants: 6
from 1559.64
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(3β,7β,17α)-Pregn-5-en-20-yne-3,7,17-triol
Chemat
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 731.60
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Structural formula: {0} (CAS {1})

(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol (CAS 1001100-69-1) is a chemical compound with the molecular formula C21H30O3 and a molecular weight of 330.5 g/mol. IUPAC name: (3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol. InChIKey: JJKOQZHWYLMASZ-FJWDNACWSA-N.

Identity
Molecular formulaC21H30O3
Molecular weight330.5 g/mol
IUPAC name(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
InChIKeyJJKOQZHWYLMASZ-FJWDNACWSA-N
SMILESC[C@]12CC[C@@H](CC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: Triolex, 3beta,7beta,17beta-Trihydroxy-17alpha-ethynylandrost-5-ene, Pregn-5-en-20-yne-3,7,17-triol, (3beta,7beta,17alpha)-, 17alpha-ethynyl-5-androstene-3beta,7beta,17beta-triol, Bezisterim, (3beta,7beta,17alpha)-Pregn-5-en-20-yne-3,7,17-triol, 17alpha-pregn-5-en-20-yne-3beta,7beta,17-triol, bezisterim [INN], Bezisterim [WHO-DD], 17-ethynyl-5-androstene-3,7,17-triol
Isomers (same molecular formula)
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O3
(1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one C21H30O3
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol C21H30O3
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O3
methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate C21H30O3
[(7R,8R,9S,10R,13S,14S,17S)-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C21H30O3
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate C21H30O3
[(1S,2S,4R,6S,8S,11R,12S,16S)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadec-14-en-15-yl] acetate C21H30O3
(8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O3
(6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O3
(2E,4E,6E,8E)-9-(3-methoxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid C21H30O3
(8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O3