Chem
J-GLOBAL ID：200907087341109050   Nikkaji number：J14.335I

Pretazettine

プレタゼッチン
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： C18H21NO5
Molecular formula furigana： C18-H21-N-O5
Molecular weight： 331.368
InChI： InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18+/m1/s1
InChI key： KLJOYDMUWKSYBP-YNBLHMCPSA-N
SMILES： CO[C@H]1C[C@@H]2N(C)C[C@@H]3O[C@@H](O)c4cc5OCOc5cc4[C@@]23C=C1
Systematic name  (3)：
  • (3S,13bS)-3,4,4aβ,5,6,6aβ-ヘキサヒドロ-3-メトキシ-5-メチル-8H-[1,3]ジオキソロ[6,7][2]ベンゾピラノ[3,4-c]インドール-8β-オール
  • (1S,11R,13R,16S,18S)-18-メトキシ-15-メチル-5,7,12-トリオキサ-15-アザペンタシクロ[11.7.0.01,16.02,10.04,8]イコサ-2,4(8),9,19-テトラエン-11-オール
  • (1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
Other name (9)：
  • イソタゼッチン
  • プレタゼッチン
  • (6aβ)-6a-デオキシ-8β-ヒドロキシタゼッチン
  • Isotazettine
  • Pretazettine
Show all
CAS registry number： 17322-84-8
KEGG COMPOUND： C08536
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