Chem
J-GLOBAL ID：200907089923503804   Nikkaji number：J17.866G

Veracevine

ベラセビン
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： C27H43NO8
Molecular formula furigana： C27-H43-N-O8
Molecular weight： 509.640
InChI： InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1
InChI key： MZHXYVMEVBEFAL-XXFAKQOHSA-N
SMILES： C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@]3(O)C[C@@]45O[C@@]6(O)[C@@H](CC[C@H]4[C@]3(O)C[C@H](O)[C@]1(O)[C@]2(C)O)[C@]5(C)CC[C@@H]6O
Systematic name  (3)：
  • 4α,9-エポキシセバン-3β,4,12,14,16β,17,20-ヘプタオール
  • (1R,2S,6S,9S,10R,11S,12S,14R,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-1,10,11,12,14,22,23-ヘプタオール
  • (1R,2S,6S,9S,10R,11S,12S,14R,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-1,10,11,12,14,22,23-heptol
Other name (3)：
  • ベラセビン
  • Veracevine
  • 4α,9-Epoxycevane-3β,4,12,14,16β,17,20-heptol
CAS registry number： 5876-23-3
KEGG COMPOUND： C10828
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