Chem
J-GLOBAL ID：200907055720144882   Nikkaji number：J1.329.259K

Norstaminol A

ノルスタミノールA
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： C37H42O12
Molecular formula furigana： C37-H42-O12
Molecular weight： 678.731
InChI： InChI=1S/C37H42O12/c1-19(38)44-28-30(45-20(2)39)34(3,4)24-17-25-37(48-25)29(35(24,5)31(28)47-33(42)22-15-11-8-12-16-22)27(26-23(40)18-43-36(26,6)49-37)46-32(41)21-13-9-7-10-14-21/h7-16,23-31,40H,17-18H2,1-6H3/t23-,24+,25-,26+,27-,28+,29-,30-,31+,35+,36-,37+/m1/s1
InChI key： BNVISAOEFRYBOH-UPAQOOKSSA-N
SMILES： CC(=O)O[C@H]1[C@@H](OC(=O)C)C(C)(C)[C@@H]2C[C@H]3O[C@@]43O[C@@]3(C)OC[C@@H](O)[C@H]3[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]2(C)[C@H]1OC(=O)c1ccccc1
Systematic name  (3)：
  • (8R,23S)-1α,11α-ビス(ベンゾイルオキシ)-2α,3α-ジアセトキシ-13-メチル-23-ヒドロキシ-7α,8α-エポキシ-13α,12α-(エポキシエタノ)-14-オキサポドカルパン
  • (1R,3R,5S,7S,8S,9R,10S,11S,12S,13S,14S,17R)-7,8-ビス(アセチルオキシ)-9-(ベンゾイルオキシ)-14-ヒドロキシ-6,6,10,17-テトラメチル-2,16,18-トリオキサペンタシクロ[9.7.0.01,3.05,10.013,17]オクタデカン-12-イル ベンゾアート
  • (1R,3R,5S,7S,8S,9R,10S,11S,12S,13S,14S,17R)-7,8-bis(acetyloxy)-9-(benzoyloxy)-14-hydroxy-6,6,10,17-tetramethyl-2,16,18-trioxapentacyclo[9.7.0.01,3.05,10.013,17]octadecan-12-yl benzoate
Other name (3)：
  • (8R,23S)-1α,11α-Bis(benzoyloxy)-2α,3α-diacetoxy-13-methyl-23-hydroxy-7α,8α-epoxy-13α,12α-(epoxyethano)-14-oxapodocarpane
  • ノルスタミノールA
  • Norstaminol A
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