Chem
J-GLOBAL ID:200907017266161921   Nikkaji number:J1.835.700C

Δ2,2′-Bi[1,3-dithiol]-4-carboxylic acid 3β-cholesteryl ester

Δ2,2′-ビ[1,3-ジチオール]-4-カルボン酸3β-コレステリル
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: C34H48O2S4
Molecular formula furigana: C34-H48-O2-S4
Molecular weight: 617.000
InChI: InChI=1S/C34H48O2S4/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-19-24(13-15-33(23,4)28(25)14-16-34(26,27)5)36-30(35)29-20-39-32(40-29)31-37-17-18-38-31/h9,17-18,20-22,24-28H,6-8,10-16,19H2,1-5H3/t22-,24+,25+,26-,27+,28+,33+,34-/m1/s1
InChI key: WSILUJKBBRDRGC-CKRNQTFXSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C1=CS/C(=C/2\SC=CS2)/S1
Systematic name  (3):
  • Δ2,2′-ビ[1,3-ジチオール]-4-カルボン酸3β-コレステリル
  • (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-イル 2-(2H-1,3-ジチオール-2-イリデン)-2H-1,3-ジチオール-4-カルボキシラート
  • (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]phenanthren-7-yl 2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiole-4-carboxylate
Other name (1):
  • Δ2,2′-Bi[1,3-dithiol]-4-carboxylic acid 3β-cholesteryl ester
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