Chem
J-GLOBAL ID：200907063207460666   Nikkaji number：J1.801.749K

ThiersinineA

チエルシニン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： C30H37NO7
Molecular formula furigana： C30-H37-N-O7
Molecular weight： 523.626
InChI： InChI=1S/C30H37NO7/c1-17(32)37-25(2,3)30(35)22(33)16-28(38-30)23(36-6)12-13-26(4)27(5)18(11-14-29(26,28)34)15-20-19-9-7-8-10-21(19)31-24(20)27/h7-10,12,18,31,34-35H,11,13-16H2,1-6H3/t18-,26+,27+,28+,29-,30+/m0/s1
InChI key： HGNVJOIZPKHOCX-YGKPGFIQSA-N
SMILES： COC1=CC[C@]2(C)[C@]3(C)[C@H](Cc4c3[nH]c3ccccc43)CC[C@@]2(O)[C@]21CC(=O)[C@@](O)(O2)C(C)(C)OC(=O)C
Systematic name  (3)：
  • 酢酸1-メチル-1-[(4S)-3-メトキシ-4aβ,5′-ジヒドロキシ-12bβ,12cα-ジメチル-1,4′,5,5′,6,6aα,7,12,12b,12c-デカヒドロ-4′-オキソスピロ[ベンゾ[6,7]インデノ[1,2-b]インドール-4(4aH),2′(3′H)-フラン]-5′α-イル]エチル
  • 2-[(1'S,2S,5S,12'S,15'S,20'R)-5,15'-ジヒドロキシ-17'-メトキシ-1',20'-ジメチル-4-オキソ-3'-アザスピロ[オキソラン-2,16'-ペンタシクロ[10.8.0.02,10.04,9.015,20]イコサン]-2'(10'),4',6',8',17'-ペンタエン-5-イル]プロパン-2-イル アセタート
  • 2-[(1'S,2S,5S,12'S,15'S,20'R)-5,15'-dihydroxy-17'-methoxy-1',20'-dimethyl-4-oxo-3'-azaspiro[oxolane-2,16'-pentacyclo[10.8.0.02,10.04,9.015,20]icosane]-2'(10'),4',6',8',17'-pentaen-5-yl]propan-2-yl acetate
Other name (3)：
  • Acetic acid 1-methyl-1-[(4S)-3-methoxy-4aβ,5′-dihydroxy-12bβ,12cα-dimethyl-1,4′,5,5′,6,6aα,7,12,12b,12c-decahydro-4′-oxospiro[benzo[6,7]indeno[1,2-b]indole-4(4aH),2′(3′H)-furan]-5′α-yl]ethyl ester
  • チエルシニンA
  • ThiersinineA
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