Cas no 174391-64-1 (Tsugaric acid A)

Tsugaric acid A structure
Tsugaric acid A structure
Product Name:Tsugaric acid A
CAS No:174391-64-1
MF:C32H50O4
MW:498.737010478973
CID:1123953
PubChem ID:44422321
Update Time:2025-04-20

Tsugaric acid A Chemical and Physical Properties

Names and Identifiers

    • Tsugaric acid A
    • 3alpha-Acetoxylanosta-8,24-dien-21-oic acid
    • 3α-Acetoxylanosta-8,24-dien-21-oic acid
    • 3α-acetyloxylanosta-8,24-dien-21-oic acid
    • 3alpha-acetyloxylanosta-8,24-dien-21-oic acid
    • Acetyl Trametenolic Acid
    • (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahy
    • 2-[(10S,13S,14S)-3-Acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopen
    • CHEMBL497273
    • AKOS040760740
    • 174391-64-1
    • HY-N4096
    • (R)-2-((3R,5R,10S,13R,14R,17R)-3-Acetoxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid
    • CS-0032102
    • MS-29262
    • 2-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid
    • FT-0775472
    • (-)-Tsugaric acid A
    • SCHEMBL14571763
    • CHEMBL225110
    • CHEBI:175828
    • (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
    • (+)-Tsugaric acid A
    • (2R)-2-((3S,5R,10S,13R,14R,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-enoic acid
    • Inchi: 1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26+,27+,30-,31-,32+/m1/s1
    • InChI Key: FIWGZIBLJWZUEA-NFOHWCJDSA-N
    • SMILES: O(C(C)=O)[C@H]1CC[C@]2(C)C3CC[C@]4(C)[C@@H]([C@H](C(=O)O)CC/C=C(\C)/C)CC[C@@]4(C)C=3CC[C@H]2C1(C)C

Computed Properties

  • Exact Mass: 498.37100
  • Monoisotopic Mass: 498.37091007 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 7
  • Complexity: 969
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 498.7
  • XLogP3: 8
  • Topological Polar Surface Area: 63.6

Experimental Properties

  • Color/Form: Powder
  • Density: 1.07±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (1.3E-6 g/L) (25 oC),
  • PSA: 63.60000
  • LogP: 8.11460

Tsugaric acid A Pricemore >>

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