Chem
J-GLOBAL ID:200907048393562946   Nikkaji number:J973.605K

(7S,8R,9S,10S)-10-(2′-Deoxy-5′-adenosyloxy)-7,8,9,10-tetrahydropicene-7,8,9-triol

(7S,8R,9S,10S)-10-(2′-デオキシ-5′-アデノシルオキシ)-7,8,9,10-テトラヒドロピセン-7,8,9-トリオール
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: C32H29N5O6
Molecular formula furigana: C32-H29-N5-O6
Molecular weight: 579.613
InChI: InChI=1S/C32H29N5O6/c33-31-27-32(35-13-34-31)37(14-36-27)24-11-21(38)23(43-24)12-42-22-10-9-20-19-8-7-17-16-4-2-1-3-15(16)5-6-18(17)25(19)29(40)30(41)26(20)28(22)39/h1-10,13-14,21-24,28-30,38-41H,11-12H2,(H2,33,34,35)/t21-,22-,23+,24+,28+,29-,30+/m0/s1
InChI key: PTLBVGGNZORSNL-LZUACFCDSA-N
SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO[C@H]2C=CC3=C([C@@H]2O)[C@@H](O)[C@@H](O)c2c3ccc3c2ccc2ccccc32)O1
Systematic name  (3):
  • (7S,8R,9S,10S)-10-(2′-デオキシ-5′-アデノシルオキシ)-7,8,9,10-テトラヒドロピセン-7,8,9-トリオール
  • (3S,4S,5R,6S)-3-{[(2R,3S,5R)-5-(6-アミノ-9H-プリン-9-イル)-3-ヒドロキシオキソラン-2-イル]メトキシ}-3,4,5,6-テトラヒドロピセン-4,5,6-トリオール
  • (3S,4S,5R,6S)-3-{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}-3,4,5,6-tetrahydropicene-4,5,6-triol
Other name (1):
  • (7S,8R,9S,10S)-10-(2′-Deoxy-5′-adenosyloxy)-7,8,9,10-tetrahydropicene-7,8,9-triol
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