Chem
J-GLOBAL ID：200907020445258688   Nikkaji number：J1.832.304D

4-Phenylbutylcarbamic acid 3β-cholesteryl ester

4-フェニルブチルカルバミン酸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： C38H59NO2
Molecular formula furigana： C38-H59-N-O2
Molecular weight： 561.895
InChI： InChI=1S/C38H59NO2/c1-27(2)12-11-13-28(3)33-19-20-34-32-18-17-30-26-31(21-23-37(30,4)35(32)22-24-38(33,34)5)41-36(40)39-25-10-9-16-29-14-7-6-8-15-29/h6-8,14-15,17,27-28,31-35H,9-13,16,18-26H2,1-5H3,(H,39,40)/t28-,31+,32+,33-,34+,35+,37+,38-/m1/s1
InChI key： OVYCDGCEWWMQKJ-WHMUZQITSA-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)NCCCCc1ccccc1
Systematic name  (3)：
  • 4-フェニルブチルカルバミン酸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 N-(4-フェニルブチル)カルバマート
  • (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 N-(4-phenylbutyl)carbamate
Other name (1)：
  • 4-Phenylbutylcarbamic acid 3β-cholesteryl ester
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