Chem
J-GLOBAL ID:201407007211392830
Nikkaji number:J3.220.729D
Pyrazine-2-carboxylic acid (3S)-3α-acetoxy-4β-(acetoxymethyl)-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-6α-yl ester
ピラジン-2-カルボン酸(3S)-3α-アセトキシ-4β-(アセトキシメチル)-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-6α-イル
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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:
C34 H37 N3 O10
Molecular formula furigana:
C34-H37-N3-O10
Molecular weight:
647.681
InChI:
InChI=1S/C34H37N3O10/c1-18(38)43-17-33(4)24-14-26(46-30(41)21-16-36-11-12-37-21)34(5)29(32(24,3)9-8-25(33)44-19(2)39)28(40)27-23(47-34)13-22(45-31(27)42)20-7-6-10-35-15-20/h6-7,10-13,15-16,24-26,28-29,40H,8-9,14,17H2,1-5H3/t24-,25+,26+,28+,29-,32+,33+,34-/m1/s1
InChI key:
UYWAZWCSLNXZDF-SZGSXWAKSA-N
SMILES:
CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cnccn1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)c1cccnc1)OC(=O)C
Systematic name (3):
ピラジン-2-カルボン酸(3S)-3α-アセトキシ-4β-(アセトキシメチル)-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-6α-イル
(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9-(アセチルオキシ)-8-[(アセチルオキシ)メチル]-12-ヒドロキシ-5a,8,11a-トリメチル-1-オキソ-3-(ピリジン-3-イル)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-ドデカヒドロ-2,5-ジオキサテトラフェン-6-イル ピラジン-2-カルボキシラート
(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9-(acetyloxy)-8-[(acetyloxy)methyl]-12-hydroxy-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-6-yl pyrazine-2-carboxylate
Other name (1):
Pyrazine-2-carboxylic acid (3S)-3α-acetoxy-4β-(acetoxymethyl)-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-6α-yl ester
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