Chem
J-GLOBAL ID:200907024627079539   Nikkaji number:J276.871B

(13R)-7β-Hydroxy-1α,9α-(dimethylaminomethylenedioxy)-6β-[(1-pyrrolidinyl)carbonyloxy]-8α,13-epoxylabd-14-en-11-one

(13R)-7β-ヒドロキシ-1α,9α-(ジメチルアミノメチレンジオキシ)-6β-[(1-ピロリジニル)カルボニルオキシ]-8α,13-エポキシラブダ-14-エン-11-オン
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: C28H44N2O7
Molecular formula furigana: C28-H44-N2-O7
Molecular weight: 520.667
InChI: InChI=1S/C28H44N2O7/c1-9-25(4)16-17(31)28-26(5)18(34-23(36-28)29(7)8)12-13-24(2,3)20(26)19(21(32)27(28,6)37-25)35-22(33)30-14-10-11-15-30/h9,18-21,23,32H,1,10-16H2,2-8H3/t18-,19-,20-,21-,23?,25-,26-,27+,28-/m0/s1
InChI key: MDLAWASVOCMXAO-LPUMERIHSA-N
SMILES: CN(C)C1O[C@H]2CCC(C)(C)[C@@H]3[C@H](OC(=O)N4CCCC4)[C@H](O)[C@@]4(C)O[C@](C)(CC(=O)[C@]4(O1)[C@@]23C)C=C
Systematic name  (3):
  • (13R)-7β-ヒドロキシ-1α,9α-(ジメチルアミノメチレンジオキシ)-6β-[(1-ピロリジニル)カルボニルオキシ]-8α,13-エポキシラブダ-14-エン-11-オン
  • (1S,5S,9S,10S,11S,12R,14R,17R)-3-(ジメチルアミノ)-14-エテニル-11-ヒドロキシ-8,8,12,14,17-ペンタメチル-16-オキソ-2,4,13-トリオキサテトラシクロ[7.7.1.01,12.05,17]ヘプタデカン-10-イル ピロリジン-1-カルボキシラート
  • (1S,5S,9S,10S,11S,12R,14R,17R)-3-(dimethylamino)-14-ethenyl-11-hydroxy-8,8,12,14,17-pentamethyl-16-oxo-2,4,13-trioxatetracyclo[7.7.1.01,12.05,17]heptadecan-10-yl pyrrolidine-1-carboxylate
Other name (1):
  • (13R)-7β-Hydroxy-1α,9α-(dimethylaminomethylenedioxy)-6β-[(1-pyrrolidinyl)carbonyloxy]-8α,13-epoxylabd-14-en-11-one
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