Chem
J-GLOBAL ID:200907000306616390
Nikkaji number:J2.296.845I
(1R)-2β-[(Z)-5-(2-O,3-O,4-O-Triacetyl-6-(9H-fluorene-9-ylmethoxycarbonylamino)-6-deoxy-β-D-galactopyranosyloxy)-2-pentenyl]-3-oxocyclopentane-1α-acetic acid methyl ester
(1R)-2β-[(Z)-5-(2-O,3-O,4-O-トリアセチル-6-(9H-フルオレン-9-イルメトキシカルボニルアミノ)-6-デオキシ-β-D-ガラクトピラノシルオキシ)-2-ペンテニル]-3-オキソシクロペンタン-1α-酢酸メチル
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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:
C40 H47 NO13
Molecular formula furigana:
C40-H47-N-O13
Molecular weight:
749.810
InChI:
InChI=1S/C40H47NO13/c1-23(42)51-36-34(21-41-40(47)50-22-32-30-15-9-7-13-28(30)29-14-8-10-16-31(29)32)54-39(38(53-25(3)44)37(36)52-24(2)43)49-19-11-5-6-12-27-26(17-18-33(27)45)20-35(46)48-4/h5-10,13-16,26-27,32,34,36-39H,11-12,17-22H2,1-4H3,(H,41,47)/b6-5-/t26-,27-,34-,36+,37+,38-,39-/m1/s1
InChI key:
YKXVLOCCBRQATC-UMKHTMMOSA-N
SMILES:
COC(=O)C[C@H]1CCC(=O)[C@@H]1C/C=C\CCO[C@@H]1O[C@H](CNC(=O)OCC2c3ccccc3c3ccccc23)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name (3):
(1R)-2β-[(Z)-5-(2-O,3-O,4-O-トリアセチル-6-(9H-フルオレン-9-イルメトキシカルボニルアミノ)-6-デオキシ-β-D-ガラクトピラノシルオキシ)-2-ペンテニル]-3-オキソシクロペンタン-1α-酢酸メチル
メチル 2-[(1R,2R)-3-オキソ-2-[(2Z)-5-{[(2R,3R,4S,5S,6R)-3,4,5-トリス(アセチルオキシ)-6-[({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)メチル]オキサン-2-イル]オキシ}ペンタ-2-エン-1-イル]シクロペンチル]アセタート
methyl 2-[(1R,2R)-3-oxo-2-[(2Z)-5-{[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl]acetate
Other name (1):
(1R)-2β-[(Z)-5-(2-O,3-O,4-O-Triacetyl-6-(9H-fluorene-9-ylmethoxycarbonylamino)-6-deoxy-β-D-galactopyranosyloxy)-2-pentenyl]-3-oxocyclopentane-1α-acetic acid methyl ester
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