Chem
J-GLOBAL ID：200907007777091250   Nikkaji number：J91.981K

Chaetoglobosin C

ケトグロボシンC
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： C32H36N2O5
Molecular formula furigana： C32-H36-N2-O5
Molecular weight： 528.649
InChI： InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27,29,33H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7+,18-14+/t17-,19-,22-,24-,27-,29-,31+,32-/m0/s1
InChI key： RIZAHVBYKWUPHQ-DOYUXEFMSA-N
SMILES： C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]32[C@@H](/C=C/C[C@H](C)/C=C(\C)/C(=O)C(=O)CCC3=O)[C@@H]2O[C@]12C
Systematic name  (3)：
  • (7S,13E,16S,17E)-6,7-エポキシ-10-(1H-インドール-3-イル)-16,18-ジメチル[13]サイトカラサ-13,17-ジエン-1,19,20,23-テトラオン
  • (1S,7E,9S,11E,13R,14S,16R,17S,18R,19S)-19-[(1H-インドール-3-イル)メチル]-7,9,16,17-テトラメチル-15-オキサ-20-アザテトラシクロ[11.8.0.01,18.014,16]ヘンイコサ-7,11-ジエン-2,5,6,21-テトラオン
  • (1S,7E,9S,11E,13R,14S,16R,17S,18R,19S)-19-[(1H-indol-3-yl)methyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone
Other name (4)：
  • Chaetoglobosin C
  • カエトグロボシンC
  • ケトグロボシンC
  • (7S,13E,16S,17E)-6,7-Epoxy-10-(1H-indol-3-yl)-16,18-dimethyl[13]cytochalasa-13,17-diene-1,19,20,23-tetrone
CAS registry number： 50645-76-6
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