Chem
J-GLOBAL ID：200907071688697853   Nikkaji number：J1.912.097J

Urs-9(11),12-diene-3β-ol 3-palmitate

ウルサ-9(11),12-ジエン-3β-オール3-パルミタート
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： C46H78O2
Molecular formula furigana： C46-H78-O2
Molecular weight： 663.128
InChI： InChI=1S/C46H78O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24-25,34-35,37,39,41H,10-23,26-33H2,1-9H3/t34-,35+,37+,39+,41+,43-,44+,45-,46-/m1/s1
InChI key： AKMIJTYEBRJYMQ-IYJFCCEGSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)C2=CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)C1(C)C
Systematic name  (3)：
  • ウルサ-9(11),12-ジエン-3β-オール3-パルミタート
  • (3S,4aR,6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-オクタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-オクタデカヒドロピセン-3-イル ヘキサデカノアート
  • (3S,4aR,6aS,6bR,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-octadecahydropicen-3-yl hexadecanoate
Other name (1)：
  • Urs-9(11),12-diene-3β-ol 3-palmitate
Thsaurus map：
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