Chem
J-GLOBAL ID：200907027176218016   Nikkaji number：J2.594.530A

2,4,6(1H,3H,5H)-Trioxo-1,3,5-triazine-1-propionic acid 3β-cholesteryl ester

2,4,6(1H,3H,5H)-トリオキソ-1,3,5-トリアジン-1-プロピオン酸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： C33H51N3O5
Molecular formula furigana： C33-H51-N3-O5
Molecular weight： 569.787
InChI： InChI=1S/C33H51N3O5/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(13-16-32(22,4)27(24)14-17-33(25,26)5)41-28(37)15-18-36-30(39)34-29(38)35-31(36)40/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H2,34,35,38,39,40)/t21-,23+,24+,25-,26+,27+,32+,33-/m1/s1
InChI key： YTFHPCKWPLYZJJ-ASDKTOIKSA-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)CCn1c(=O)[nH]c(=O)[nH]c1=O
Systematic name  (3)：
  • 2,4,6(1H,3H,5H)-トリオキソ-1,3,5-トリアジン-1-プロピオン酸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 3-(2,4,6-トリオキソ-1,3,5-トリアジナン-1-イル)プロパノアート
  • (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 3-(2,4,6-trioxo-1,3,5-triazinan-1-yl)propanoate
Other name (1)：
  • 2,4,6(1H,3H,5H)-Trioxo-1,3,5-triazine-1-propionic acid 3β-cholesteryl ester
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