Chem
J-GLOBAL ID:202107021236989057
Nikkaji number:J3.758.683H
tert-butyl (2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoate
tert-ブチル(2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6,7-ジヒドロキシ-2,4b,8,8,10a-ペンタメチル-4,4a,5,6,7,8a,9,10-オクタヒドロ-1H-フェナントレン-1-イル]-2-{[(9H-フルオレン-9-イルメトキシ)カルボニル]アミノ}ブタノアート
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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:
C42 H57 NO6
Molecular formula furigana:
C42-H57-N-O6
Molecular weight:
671.919
InChI:
InChI=1S/C42H57NO6/c1-25-17-20-35-41(7,22-21-34-40(5,6)36(45)33(44)23-42(34,35)8)31(25)18-19-32(37(46)49-39(2,3)4)43-38(47)48-24-30-28-15-11-9-13-26(28)27-14-10-12-16-29(27)30/h9-17,30-36,44-45H,18-24H2,1-8H3,(H,43,47)/t31-,32-,33-,34+,35-,36+,41-,42+/m0/s1
InChI key:
DYMHMNPAGXGMFA-KCUZJMSCSA-N
SMILES:
C(=O)([C@H](CC[C@@H]1[C@@]2(CC[C@H]3[C@@](C[C@@H]([C@H](C3(C)C)O)O)([C@H]2CC=C1C)C)C)NC(=O)OCC1c2ccccc2c2ccccc12)OC(C)(C)C
Systematic name (3):
(2S)-2-[(9H-フルオレン-9-イルメトキシカルボニル)アミノ]-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-2,4b,8,8,10a-ペンタメチル-6,7-ジヒドロキシ-1,4,4a,4b,5,6,7,8,8a,9,10,10a-ドデカヒドロフェナントレン-1-イル]酪酸tert-ブチル
tert-ブチル(2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6,7-ジヒドロキシ-2,4b,8,8,10a-ペンタメチル-1,4,4a,4b,5,6,7,8,8a,9,10,10a-ドデカヒドロフェナントレン-1-イル]-2-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)ブタノアート
tert-butyl (2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoate
Other name (2):
tert-ブチル(2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6,7-ジヒドロキシ-2,4b,8,8,10a-ペンタメチル-4,4a,5,6,7,8a,9,10-オクタヒドロ-1H-フェナントレン-1-イル]-2-{[(9H-フルオレン-9-イルメトキシ)カルボニル]アミノ}ブタノアート
tert-butyl (2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoate
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