Chem
J-GLOBAL ID：200907073794806605   Nikkaji number：J6.422J

Zygadenine

ジガデニン
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： C27H43NO7
Molecular formula furigana： C27-H43-N-O7
Molecular weight： 493.641
InChI： InChI=1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1
InChI key： NPNDUIMQBJIGQS-IDFKWMMPSA-N
SMILES： C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@@]45O[C@@]6(O)[C@@H](CC[C@H]4[C@]3(O)[C@@H](O)[C@H](O)[C@@H]1[C@]2(C)O)[C@]5(C)CC[C@@H]6O
Systematic name  (3)：
  • 4α,9-エポキシセバン-3β,4,14,15α,16β,20-ヘキサオール
  • (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-6,10,19-トリメチル-24-オキサ-4-アザヘプタシクロ[12.12.0.02,11.04,9.015,25.018,23.019,25]ヘキサコサン-10,12,13,14,22,23-ヘキサオール
  • (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,22,23-hexol
Other name (3)：
  • ジガデニン
  • Zygadenine
  • 4α,9-Epoxycevane-3β,4,14,15α,16β,20-hexol
CAS registry number： 545-45-9
KEGG COMPOUND： C10831
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