Chem
J-GLOBAL ID:200907049686647950   Nikkaji number:J2.021.283G

Occidentalidine

オクシデンタリジン
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: C29H47NO8
Molecular formula furigana: C29-H47-N-O8
Molecular weight: 537.694
InChI: InChI=1S/C29H47NO8/c1-8-30-13-26(14-34-4)10-9-19(36-6)28-17-11-16-18(35-5)12-27(32,20(17)21(16)38-24(31)15(2)3)29(33,25(28)30)23(37-7)22(26)28/h15-23,25,32-33H,8-14H2,1-7H3/t16-,17-,18+,19?,20-,21+,22-,23+,25+,26+,27-,28+,29?/m1/s1
InChI key: DVLODXXPAYOJJP-QPEIRKNHSA-N
SMILES: CCN1C[C@]2(COC)CCC(OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)C(C)C)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14
Systematic name  (3):
  • 1α,6β,16β-トリメトキシ-4-(メトキシメチル)-14α-(イソブチリルオキシ)-20-エチルアコニタン-7,8-ジオール
  • (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-エチル-8,9-ジヒドロキシ-6,16,18-トリメトキシ-13-(メトキシメチル)-11-アザヘキサシクロ[7.7.2.12,5.01,10.03,8.013,17]ノナデカン-4-イル 2-メチルプロパノアート
  • (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl 2-methylpropanoate
Other name (3):
  • 1α,6β,16β-Trimethoxy-4-(methoxymethyl)-14α-(isobutyryloxy)-20-ethylaconitane-7,8-diol
  • オクシデンタリジン
  • Occidentalidine
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