Chem
J-GLOBAL ID:200907042532654100   Nikkaji number:J123.176F

β-Amyrin cinnamate

β-アミリンシンナマート
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: C39H56O2
Molecular formula furigana: C39-H56-O2
Molecular weight: 556.875
InChI: InChI=1S/C39H56O2/c1-34(2)22-23-36(5)24-25-38(7)28(29(36)26-34)15-16-31-37(6)20-19-32(35(3,4)30(37)18-21-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-15,17,29-32H,16,18-26H2,1-8H3/t29-,30-,31+,32-,36+,37-,38+,39+/m0/s1
InChI key: YRLMHPNEDFFBTK-SSYQYTRCSA-N
SMILES: CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C=Cc6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name  (3):
  • オレアナ-12-エン-3β-オール3-フェニルプロペノアート
  • (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-オクタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル 3-フェニルプロパ-2-エノアート
  • (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl 3-phenylprop-2-enoate
Other name (3):
  • β-Amyrin cinnamate
  • β-アミリンシンナマート
  • Olean-12-en-3β-ol 3-phenylpropenoate
CAS registry number: 21593-81-7
Thsaurus map:

Return to Previous Page