Chem
J-GLOBAL ID：200907017457545312   Nikkaji number：J2.503.779K

Thuggacin A

ツガシンA
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： C35H53NO7S
Molecular formula furigana： C35-H53-N-O7-S
Molecular weight： 631.870
InChI： InChI=1S/C35H53NO7S/c1-7-9-10-12-15-26-19-27-21-44-34(36-27)24(5)29(38)20-28(37)16-13-11-14-17-30(43-35(26)42)33(41)32(40)25(6)31(39)23(4)18-22(3)8-2/h8,11,13-14,16,18-19,21,24-25,28-33,37-41H,7,9-10,12,15,17,20H2,1-6H3/b14-11-,16-13-,22-8+,23-18+,26-19-/t24-,25?,28-,29+,30+,31?,32-,33-/m0/s1
InChI key： CGUNOWXWUXNOPE-QPSWMVECSA-N
SMILES： CCCCCC/C/1=C/c2csc(n2)[C@@H](C)[C@H](O)C[C@@H](O)/C=C\C=C/C[C@@H](OC1=O)[C@H](O)[C@@H](O)C(C)C(O)/C(=C/C(=C/C)/C)/C
Systematic name  (3)：
  • (2E,6R,8Z,10E,12R,14R,15S)-3-ヘキシル-6-[(1R,2S,5E,7E)-1,2,4-トリヒドロキシ-3,5,7-トリメチル-5,7-ノナジエニル]-12,14-ジヒドロキシ-15-メチル-5-オキサ-17-チア-19-アザビシクロ[14.2.1]ノナデカン-1(18),2,8,10,16(19)-ペンタエン-4-オン
  • (2Z,6R,8Z,10Z,12R,14R,15S)-3-ヘキシル-12,14-ジヒドロキシ-15-メチル-6-[(1R,2S,5E,7E)-1,2,4-トリヒドロキシ-3,5,7-トリメチルノナ-5,7-ジエン-1-イル]-5-オキサ-17-チア-19-アザビシクロ[14.2.1]ノナデカ-1(18),2,8,10,16(19)-ペンタエン-4-オン
  • (2Z,6R,8Z,10Z,12R,14R,15S)-3-hexyl-12,14-dihydroxy-15-methyl-6-[(1R,2S,5E,7E)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one
Other name (3)：
  • (2E,6R,8Z,10E,12R,14R,15S)-3-Hexyl-6-[(1R,2S,5E,7E)-1,2,4-trihydroxy-3,5,7-trimethyl-5,7-nonadienyl]-12,14-dihydroxy-15-methyl-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadecane-1(18),2,8,10,16(19)-pentaene-4-one
  • ツガシンA
  • Thuggacin A
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM