Chem
J-GLOBAL ID：200907023178000420
Nikkaji number：J2.466.668I
Cholesta-5-ene-3β-carboxylic acid 4-octanoyloxy-5-oxo-1,3,6-cycloheptatriene-1-yl ester
コレスタ-5-エン-3β-カルボン酸4-オクタノイルオキシ-5-オキソ-1,3,6-シクロヘプタトリエン-1-イル
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
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
Molecular formula： C43H64O5
Molecular formula furigana： C43-H64-O5
Molecular weight： 660.980
InChI：
InChI=1S/C43H64O5/c1-7-8-9-10-11-15-40(45)48-39-23-18-33(17-22-38(39)44)47-41(46)31-24-26-42(5)32(28-31)16-19-34-36-21-20-35(30(4)14-12-13-29(2)3)43(36,6)27-25-37(34)42/h16-18,22-23,29-31,34-37H,7-15,19-21,24-28H2,1-6H3/t30-,31+,34+,35-,36+,37+,42+,43-/m1/s1
InChI key：
QQYGSMBWAVWFSQ-FXLOTGEASA-N
SMILES：
CCCCCCCC(=O)Oc1ccc(OC(=O)[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)ccc1=O
Systematic name (3)：
- コレスタ-5-エン-3β-カルボン酸4-オクタノイルオキシ-5-オキソ-1,3,6-シクロヘプタトリエン-1-イル
- 4-(オクタノイルオキシ)-5-オキソシクロヘプタ-1,3,6-トリエン-1-イル (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-カルボキシラート
- 4-(octanoyloxy)-5-oxocyclohepta-1,3,6-trien-1-yl (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7-carboxylate
- Cholesta-5-ene-3β-carboxylic acid 4-octanoyloxy-5-oxo-1,3,6-cycloheptatriene-1-yl ester
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