Chem
J-GLOBAL ID:200907023752439907   Nikkaji number:J1.557.802E

Tirucalla-7,24-diene-3β-ol icosanoate

チルカラ-7,24-ジエン-3β-オールイコサノアート
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: C50H88O2
Molecular formula furigana: C50-H88-O2
Molecular weight: 721.252
InChI: InChI=1S/C50H88O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-46(51)52-45-35-36-48(7)42-34-38-49(8)41(40(4)29-27-28-39(2)3)33-37-50(49,9)43(42)31-32-44(48)47(45,5)6/h28,31,40-42,44-45H,10-27,29-30,32-38H2,1-9H3/t40-,41-,42-,44-,45-,48+,49-,50+/m0/s1
InChI key: PINXTGHPAUQHIM-COZRNKLMSA-N
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)C3=CC[C@H]2C1(C)C)[C@@H](C)CCC=C(C)C
Systematic name  (3):
  • チルカラ-7,24-ジエン-3β-オールイコサノアート
  • (1S,3aS,5aR,7S,9aR,9bR,11aS)-3a,6,6,9a,11a-ペンタメチル-1-[(2S)-6-メチルヘプタ-5-エン-2-イル]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル イコサノアート
  • (1S,3aS,5aR,7S,9aR,9bR,11aS)-3a,6,6,9a,11a-pentamethyl-1-[(2S)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl icosanoate
Other name (1):
  • Tirucalla-7,24-diene-3β-ol icosanoate
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