Chem
J-GLOBAL ID：200907017723907942   Nikkaji number：J117.053H

Hemanthidine

ヘマンチジン
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： C17H19NO5
Molecular formula furigana： C17-H19-N-O5
Molecular weight： 317.341
InChI： InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9-,14+,15+,16+,17+/m1/s1
InChI key： ZSTPNQLNQBRLQF-UAQFGPKRSA-N
SMILES： CO[C@H]1C[C@@H]2N3C[C@H](O)[C@@]2(C=C1)c1cc2OCOc2cc1[C@@H]3O
Systematic name  (3)：
  • (5α,11R,13β,19α)-1,2-ジデヒドロ-3β-メトキシクリナン-6β,11-ジオール
  • (1S,11S,13S,15S,18R)-15-メトキシ-5,7-ジオキサ-12-アザペンタシクロ[10.5.2.01,13.02,10.04,8]ノナデカ-2,4(8),9,16-テトラエン-11,18-ジオール
  • (1S,11S,13S,15S,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
Other name (5)：
  • ヘマンチジン
  • Hemanthidine
  • (5α,11R,13β,19α)-1,2-Didehydro-3β-methoxycrinan-6β,11-diol
  • (-)-ヘマンチジン
  • (-)-Haemanthidine
CAS registry number： 466-73-9
KEGG COMPOUND： C12174
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