Chem
J-GLOBAL ID：200907023519059037   Nikkaji number：J12.218A

Germin

ゲルミン
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/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1
InChI key： RNPABQVCNAUEIY-GUQYYFCISA-N
SMILES： C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@@]45O[C@@]6(O)[C@@H](C[C@@H](O)[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,4,7α,14,15α,16β,20-ヘプタオール
  • (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,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-10,12,13,14,16,22,23-ヘプタオール
  • (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,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-10,12,13,14,16,22,23-heptol
Other name (4)：
  • ゲルミン
  • Germine
  • Germin
  • 4α,9-Epoxycevane-3β,4,7α,14,15α,16β,20-heptol
CAS registry number： 508-65-6
Regulation number (1)：
  • FL4725000
KEGG COMPOUND： C10807
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