Chem
J-GLOBAL ID:200907025212468480   Nikkaji number:J1.191.241I

(3S)-4α,8,13,18-Tetramethyl-9-acetyl-14-ethyl-20-oxo-22-hydroxy-22-(methoxycarbonyl)-21-oxa-24,25,26-triaza-17,23-epiminopentacyclo[17.3.1.12,5.17,10.112,15]hexacosane-1(23),2(26),5,7,9,11,13,15(24),16,18-decaene-3β-propanoic acid phytyl ester

(3S)-4α,8,13,18-テトラメチル-9-アセチル-14-エチル-20-オキソ-22-ヒドロキシ-22-(メトキシカルボニル)-21-オキサ-24,25,26-トリアザ-17,23-エピミノペンタシクロ[17.3.1.12,5.17,10.112,15]ヘキサコサン-1(23),2(26),5,7,9,11,13,15(24),16,18-デカエン-3β-プロパン酸フィチル
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: C55H74N4O8
Molecular formula furigana: C55-H74-N4-O8
Molecular weight: 919.217
InChI: InChI=1S/C55H74N4O8/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(23-24-47(61)66-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3)51(58-42)50-52-49(37(10)44(59-52)28-45(39)56-41)53(62)67-55(50,64)54(63)65-12/h25,27-32,35,40,57,59,64H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27+,44-28-,45-28-,46-29+,51-50+/t31-,32-,35+,40+,55?/m1/s1
InChI key: TYPBRERYOJBHEM-YFEORAFFSA-N
SMILES: CCC1=C(C)C2=N/C/1=C\c1[nH]c3/C(=C/4\N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C(=O)C)[C@H]([C@@H]4CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)/C(OC(=O)c3c1C)(O)C(=O)OC
Systematic name  (3):
  • (3S)-4α,8,13,18-テトラメチル-9-アセチル-14-エチル-20-オキソ-22-ヒドロキシ-22-(メトキシカルボニル)-21-オキサ-24,25,26-トリアザ-17,23-エピミノペンタシクロ[17.3.1.12,5.17,10.112,15]ヘキサコサン-1(23),2(26),5,7,9,11,13,15(24),16,18-デカエン-3β-プロパン酸フィチル
  • メチル (22S,23S)-17-アセチル-12-エチル-3-ヒドロキシ-13,18,22,27-テトラメチル-5-オキソ-23-(3-オキソ-3-{[(2E,7R,11R)-3,7,11,15-テトラメチルヘキサデカ-2-エン-1-イル]オキシ}プロピル)-4-オキサ-8,24,25,26-テトラアザヘキサシクロ[19.2.1.16,9.111,14.116,19.02,7]ヘプタコサ-1,6,9(27),10,12,14(26),15,17,19,21(24)-デカエン-3-カルボキシラート
  • methyl (22S,23S)-17-acetyl-12-ethyl-3-hydroxy-13,18,22,27-tetramethyl-5-oxo-23-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19,21(24)-decaene-3-carboxylate
Other name (2):
  • d(3S)-4α,8,13,18-Tetramethyl-9-acetyl-14-ethyl-20-oxo-22-hydroxy-22-(methoxycarbonyl)-21-oxa-24,25,26-triaza-17,23-epiminopentacyclo[17.3.1.12,5.17,10.112,15]hexacosane-1(23),2(26),5,7,9,11,13,15(24),16,18-decene-3β-propanoic acid phytyl ester
  • (3S)-4α,8,13,18-Tetramethyl-9-acetyl-14-ethyl-20-oxo-22-hydroxy-22-(methoxycarbonyl)-21-oxa-24,25,26-triaza-17,23-epiminopentacyclo[17.3.1.12,5.17,10.112,15]hexacosane-1(23),2(26),5,7,9,11,13,15(24),16,18-decaene-3β-propanoic acid phytyl ester
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