Chem
J-GLOBAL ID：200907076456474515   Nikkaji number：J572.531C

Jadomycin B

ジャドマイシンB
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： C30H31NO9
Molecular formula furigana： C30-H31-N-O9
Molecular weight： 549.576
InChI： InChI=1S/C30H31NO9/c1-5-13(3)24-30(37)40-29-16-9-12(2)10-17(32)21(16)23-25(31(24)29)28(36)22-15(27(23)35)7-6-8-19(22)39-20-11-18(33)26(34)14(4)38-20/h6-10,13-14,18,20,24,26,29,32-34H,5,11H2,1-4H3
InChI key： BSBSCJRAEMDCHC-UHFFFAOYSA-N
SMILES： CCC(C)C1N2C(OC1=O)c1cc(C)cc(O)c1C1=C2C(=O)c2c(OC3CC(O)C(O)C(C)O3)cccc2C1=O
Systematic name  (3)：
  • 12-[(3,4-ジヒドロキシ-2-メチルテトラヒドロ-2H-ピラン)-6-イルオキシ]-7-ヒドロキシ-5-メチル-1-(1-メチルプロピル)-8H-ベンゾ[b]オキサゾロ[3,2-f]フェナントリジン-2,8,13(1H,3aH)-トリオン
  • 3-(ブタン-2-イル)-19-[(4,5-ジヒドロキシ-6-メチルオキサン-2-イル)オキシ]-11-ヒドロキシ-9-メチル-5-オキサ-2-アザペンタシクロ[11.8.0.02,6.07,12.015,20]ヘンイコサ-1(13),7,9,11,15,17,19-ヘプタエン-4,14,21-トリオン
  • 3-(butan-2-yl)-19-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7,9,11,15,17,19-heptaene-4,14,21-trione
Other name (3)：
  • ジャドマイシンB
  • Jadomycin B
  • 12-[(3,4-Dihydroxy-2-methyltetrahydro-2H-pyran)-6-yloxy]-7-hydroxy-5-methyl-1-(1-methylpropyl)-8H-benz[b]oxazolo[3,2-f]phenanthridine-2,8,13(1H,3aH)-trione
CAS registry number： 149633-99-8
KEGG COMPOUND： C12395
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