Cas no 80489-65-2 (Urs-12-en-28-oic acid,3,30-dihydroxy-, (3b)-)

Urs-12-en-28-oic acid,3,30-dihydroxy-, (3b)- structure
80489-65-2 structure
Product Name:Urs-12-en-28-oic acid,3,30-dihydroxy-, (3b)-
CAS No:80489-65-2
MF:C30H48O4
MW:472.699729919434
CID:730940
PubChem ID:72994727
Update Time:2024-10-27

Urs-12-en-28-oic acid,3,30-dihydroxy-, (3b)- Chemical and Physical Properties

Names and Identifiers

    • Urs-12-en-28-oic acid,3,30-dihydroxy-, (3b)-
    • Rubifolic acid
    • (3β)-3,30-Dihydroxyurs-12-en-28-oic acid
    • 30-Hydroxyursolic acid
    • [ "30-Hydroxyursolic acid" ]
    • (3β)-3,30-Dihydroxyurs-12-en-28-oic acid (ACI)
    • 80489-65-2
    • AKOS032962256
    • FS-9048
    • 10-hydroxy-2-(hydroxymethyl)-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
    • Inchi： 1S/C30H48O4/c1-18-19(17-31)9-14-30(25(33)34)16-15-28(5)20(24(18)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
    • InChI Key： UBLKZBSRTSLNTC-RRHGHHQTSA-N
    • SMILES： C([C@]12CC[C@@H](CO)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(CC2)C)C)(=O)O

Computed Properties

  • Exact Mass: 472.355
  • Monoisotopic Mass: 472.355
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 2
  • Complexity: 892
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.8A^2
  • XLogP3: 5.9

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 592.9±50.0 °C at 760 mmHg
  • Flash Point: 326.4±26.6 °C
  • PSA: 77.76000
  • LogP: 6.06190
  • Vapor Pressure: 0.0±3.8 mmHg at 25°C

Urs-12-en-28-oic acid,3,30-dihydroxy-, (3b)- Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI TAO SHU Biotechnology Co., Ltd.
TN5938-5 mg
Rubifolic acid
 80489-65-2
5mg
 ￥4915.00 2022-04-26
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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(3β)-3,30-Dihydroxyurs-12-en-28-oic acid
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 ￥5120.0 2021-09-08
TargetMol Chemicals
TN5938-5 mg
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 80489-65-2 98%
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 ￥ 3,560 2023-07-10
TargetMol Chemicals
TN5938-1 mL * 10 mM (in DMSO)
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TargetMol Chemicals
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 ￥ 3560 2024-07-19
A2B Chem LLC
AH54384-5mg
Rubifolic acid
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5mg
 $635.00 2024-04-19
TargetMol Chemicals
TN5938-1 ml * 10 mm
Rubifolic acid
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1 ml * 10 mm
 ￥ 3660 2024-07-19

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