Cas no 88191-14-4 (17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one)

17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one structure
88191-14-4 structure
Product Name:17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
CAS No:88191-14-4
MF:C28H44O4
MW:444.646569252014
CID:836901
PubChem ID:21772319
Update Time:2024-10-26

17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Chemical and Physical Properties

Names and Identifiers

    • 3,5,9-Trihydroxyergosta-7,22-dien-6-one
    • 3beta,5alpha,9alpha-Trihydroxy-(22E,24R)-ergosta-7,22-dien-6-one
    • 3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one
    • 17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydroc
    • (3β,5α,22E)-3,5,9-Trihydroxyergosta-7,22-dien-6-one (ACI)
    • (22E)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one
    • (22E,24R)-3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one
    • 3β,5α,9α-Trihydroxy-(22E,24R)-ergosta-7,22-dien-6-one
    • 3β,5α,9α-Trihydroxy-(22E,24R)ergosta-7,22-dien-6-one
    • (3S,5R,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
    • HY-N1786
    • SCHEMBL6378394
    • A,5
    • CS-0017639
    • FS-9128
    • Q27138676
    • 88191-14-4
    • 3
    • A,9
    • CHEMBL2012312
    • AKOS040762527
    • 3??,5??,9??-Trihydroxyergosta-7,22-dien-6-one
    • A-Trihydroxyergosta-7,22-dien-6-one
    • CHEBI:70335
    • (3beta,5alpha,22E)-3,5,9-trihydroxyergosta-7,22-dien-6-one
    • (22E,24R)-3beta,5alpha,9alpha-trihydroxyergosta-7,22-dien-6-one
    • [ "" ]
    • 17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
    • Inchi： 1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,29,31-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1
    • InChI Key： GUERPVMWCQXYEU-IHEPTZRRSA-N
    • SMILES： O[C@@]12[C@]3(CC[C@@H](C[C@]3(O)C(=O)C=C1[C@@H]1CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]1(CC2)C)O)C

Computed Properties

  • Exact Mass: 444.32400
  • Monoisotopic Mass: 444.32395988g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 829
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.8
  • XLogP3: 4.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 581.3±50.0 °C at 760 mmHg
  • Flash Point: 319.4±26.6 °C
  • PSA: 77.76000
  • LogP: 4.81950
  • Vapor Pressure: 0.0±3.7 mmHg at 25°C

17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Security Information

17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T56860-5 mg
3,5,9-Trihydroxyergosta-7,22-dien-6-one
 88191-14-4
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 ￥4480.0 2021-09-07
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T56860-5mg
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 88191-14-4 ,97.0%
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 ￥4480.0 2023-09-06
TargetMol Chemicals
TN5286-5 mg
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 88191-14-4 98%
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TargetMol Chemicals
TN5286-1 mL * 10 mM (in DMSO)
3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one
 88191-14-4 98%
1 mL * 10 mM (in DMSO)
 ￥ 21980 2023-09-15
A2B Chem LLC
AH93513-5mg
3,5,9-Trihydroxyergosta-7,22-dien-6-one
 88191-14-4 97.0%
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 $552.00 2024-04-19
TargetMol Chemicals
TN5286-5mg
3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one
 88191-14-4
5mg
 ￥ 18400 2024-07-20
TargetMol Chemicals
TN5286-1 ml * 10 mm
3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one
 88191-14-4
1 ml * 10 mm
 ￥ 21980 2024-07-20
TargetMol Chemicals
TN5286-5mg
3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one
 88191-14-4
5mg
 ￥ 18400 2024-07-24
TargetMol Chemicals
TN5286-1 ml * 10 mm
3β,5α,9α-Trihydroxyergosta-7,22-dien-6-one
 88191-14-4
1 ml * 10 mm
 ￥ 21980 2024-07-24

17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Related Literature

Related Categories

88191-14-4 (17-(5,6-Dimethylhept-3-en-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one) Related Products

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