Chem
J-GLOBAL ID：200907022762121267   Nikkaji number：J1.321.018G

Peruvianursenyl acetate B

ペルビアヌルセニルアセタートB
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H50O2
Molecular formula furigana： C32-H50-O2
Molecular weight： 466.750
InChI： InChI=1S/C32H50O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,13,20-21,25-27H,11-12,14-19H2,1-9H3/t20-,21+,25-,26+,27-,29-,30+,31-,32-/m1/s1
InChI key： MQTOGSDBQPGYQR-PMABJWBGSA-N
SMILES： C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)C5=CC[C@@]34C)[C@H]2[C@H]1C
Systematic name  (3)：
  • (18α)-ウルサ-5,12-ジエン-3β-オールアセタート
  • (3S,6aR,6bS,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-オクタメチル-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-オクタデカヒドロピセン-3-イル アセタート
  • (3S,6aR,6bS,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicen-3-yl acetate
Other name (3)：
  • (18α)-Urs-5,12-diene-3β-ol acetate
  • ペルビアヌルセニルアセタートB
  • Peruvianursenyl acetate B
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