Products 1961358-02-0

CAS 1961358-02-0 appears in our catalog under these names: (3β,7β,12β,20Z)-3,7,12-Trihydroxy-11,15,23-trioxo-lanost-8,20-dien-26-oic acid, ≥95%, ≥95%, (3β,7β,12β,20Z)-3,7,12-Trihydroxy-11,15,23-trioxo-lanost-8,20-dien-26-oic acid, 97.84%. Offered by: Chemat, MedChemExpress. Available pack sizes: 5mg, 1 mg.

(3β,7β,12β,20Z)-3,7,12-Trihydroxy-11,15,23-trioxo-lanost-8,20-dien-26-oic acid, ≥95%, ≥95%
Chemat
  • size: 5mg
  • Variants: 1
from 2282.00
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(3β,7β,12β,20Z)-3,7,12-Trihydroxy-11,15,23-trioxo-lanost-8,20-dien-26-oic acid, 97.84%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 839.82
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Structural formula: {0} (CAS {1})

(Z)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid (CAS 1961358-02-0) is a chemical compound with the molecular formula C30H42O8 and a molecular weight of 530.6 g/mol. IUPAC name: (Z)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid. InChIKey: YPBOVCHDEBYUDW-HRLXDLDBSA-N.

Identity
Molecular formulaC30H42O8
Molecular weight530.6 g/mol
IUPAC name(Z)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
InChIKeyYPBOVCHDEBYUDW-HRLXDLDBSA-N
SMILESCC(CC(=O)/C=C(/C)\[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)O)C)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: orb1984674, (3|A,7|A,12|A,20Z)-3,7,12-trihydroxy-11,15,23-trioxo-lanost-8,20-dien-26-oicacid
Related forms of this compound
(Z)-2-methyl-4-oxo-6-[(3S,7S,10S,12S,13R,14R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid C30H42O8
Isomers (same molecular formula)
6-hydroxy-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid C30H42O8
5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one C30H42O8
methyl (4R)-4-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate C30H42O8
(2R,6R)-6-[(3S,5S,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid C30H42O8
(6R)-6-[(5R,7S,10S,12S,13R,14R,17R)-7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid C30H42O8
(6R)-6-[(7S,10S,12S,13R,14R,17R)-7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid C30H42O8
3-[(1S,3R,7R,10R,11S,14S,16R)-14-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-5-en-6-yl]-2H-furan-5-one C30H42O8
(6R)-6-[(5R,7S,10S,13R,14R,17R)-7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid C30H42O8