Cas no 28348-90-5 (Urs-12-en-28-oic acid,3,7-dihydroxy-, (3b,7a)- (9CI))

Urs-12-en-28-oic acid,3,7-dihydroxy-, (3b,7a)- (9CI) structure
28348-90-5 structure
Product Name:Urs-12-en-28-oic acid,3,7-dihydroxy-, (3b,7a)- (9CI)
CAS No:28348-90-5
MF:C30H48O4
MW:472.699729919434
CID:282353
PubChem ID:131752023
Update Time:2025-04-19

Urs-12-en-28-oic acid,3,7-dihydroxy-, (3b,7a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Urs-12-en-28-oic acid,3,7-dihydroxy-, (3b,7a)- (9CI)
    • Rubiticacid
    • 3β,7α-Dihydroxyurs-12-en-28-oic acid
    • Inchi： 1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21?,22+,23-,24+,27-,28-,29+,30+/m1/s1
    • InChI Key： DZLAZTJTKXGAGR-SACTXEEHSA-N
    • SMILES： O[C@@H]1CC2C(C)(C)[C@H](CC[C@]2(C)C2CC=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@@]21C)O

Computed Properties

  • Exact Mass: 472.35526001g/mol
  • Monoisotopic Mass: 472.35526001g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 1
  • Complexity: 908
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6
  • Topological Polar Surface Area: 77.8?2

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