Chem
J-GLOBAL ID：201707014085371944   Nikkaji number：J3.605.321F

(2S,13R,14S)-2-Isopropyl-5-benzyl-7,7,13-trimethyl-10-(1-methylpropyl)-14-(Boc-amino)-1,4,9,12-tetraoxacyclopentadecane-3,6,8,11,15-pentaone

(2S,13R,14S)-2-イソプロピル-5-ベンジル-7,7,13-トリメチル-10-(1-メチルプロピル)-14-(Boc-アミノ)-1,4,9,12-テトラオキサシクロペンタデカン-3,6,8,11,15-ペンタオン
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： C33H47NO11
Molecular formula furigana： C33-H47-N-O11
Molecular weight： 633.735
InChI： InChI=1S/C33H47NO11/c1-11-19(4)25-29(38)41-20(5)23(34-31(40)45-32(6,7)8)27(36)43-24(18(2)3)28(37)42-22(17-21-15-13-12-14-16-21)26(35)33(9,10)30(39)44-25/h12-16,18-20,22-25H,11,17H2,1-10H3,(H,34,40)/t19?,20-,22?,23+,24+,25?/m1/s1
InChI key： UMWUFRTUKIQTKX-DYBNUMHOSA-N
SMILES： CCC(C)C1OC(=O)C(C)(C)C(=O)C(Cc2ccccc2)OC(=O)[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC1=O)C(C)C
Systematic name  (3)：
  • (2S,13R,14S)-2-イソプロピル-5-ベンジル-7,7,13-トリメチル-10-(1-メチルプロピル)-14-(Boc-アミノ)-1,4,9,12-テトラオキサシクロペンタデカン-3,6,8,11,15-ペンタオン
  • tert-ブチル N-[(3S,6S,7R)-15-ベンジル-10-(ブタン-2-イル)-7,13,13-トリメチル-2,5,9,12,14-ペンタオキソ-3-(プロパン-2-イル)-1,4,8,11-テトラオキサシクロペンタデカン-6-イル]カルバマート
  • tert-butyl N-[(3S,6S,7R)-15-benzyl-10-(butan-2-yl)-7,13,13-trimethyl-2,5,9,12,14-pentaoxo-3-(propan-2-yl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]carbamate
Other name (1)：
  • (2S,13R,14S)-2-Isopropyl-5-benzyl-7,7,13-trimethyl-10-(1-methylpropyl)-14-(Boc-amino)-1,4,9,12-tetraoxacyclopentadecane-3,6,8,11,15-pentaone
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