CAS Registry Number®
67416-61-9
CAS Name
Acetyl-11-keto-β-boswellic acid
Molecular Formula
C32H48O5
Molecular Mass
512.72
Compound Properties
-
Melting Point (1)
262-265 °C (decomp)
Source(s)
- (1) Belsner, Klaus; Magnetic Resonance in Chemistry, (2003), 41(2), 115-122, CAplus
Other Names and Identifiers
InChI
InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
InChIKey
InChIKey=HMMGKOVEOFBCAU-BCDBGHSCSA-N
SMILES
C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](C(O)=O)(C)[C@H](OC(C)=O)CC3)[H])(C(=O)C=C4[C@@]2(C)CC[C@]5(C)[C@]4([C@@H](C)[C@H](C)CC5)[H])[H]
Canonical SMILES
O=C(OC1CCC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C(=O)O)C)C
Other Names for this Substance
- Urs-12-en-23-oic acid, 3-(acetyloxy)-11-oxo-, (3α,4β)-
- (3α,4β)-3-(Acetyloxy)-11-oxours-12-en-23-oic acid
- Acetyl-11-oxo-β-boswellic acid
- AKBA
- Acetyl-11-keto-β-boswellic acid
- 3-Acetyl-11-keto-β-boswellic acid
- 11-keto-β-boswellic acid acetate
- 3α-Acetyl-11-keto-β-boswellic acid
- 3-O-Acetyl-11-keto-β-boswellic acid
- 3α-Acetoxy-11-oxo-12-ursen-24-oic acid
- Acetylketo-β-boswellic acid
Deleted or Replaced CAS Registry Numbers
187945-03-5
