Chem
J-GLOBAL ID：200907070990713829   Nikkaji number：J1.878.771G

(3R,6aα,10bα)-3α-Vinyl-3,4aβ,7,7,10aβ,12,12-heptamethyl-10β-(2-imidazolylcarbonothioyloxy)-5β,6β-(epoxymethanoxy)dodecahydro-1H-naphtho[2,1-b]pyran-1-one

(3R,6aα,10bα)-3α-ビニル-3,4aβ,7,7,10aβ,12,12-ヘプタメチル-10β-(2-イミダゾリルカルボノチオイルオキシ)-5β,6β-(エポキシメタノキシ)ドデカヒドロ-1H-ナフト[2,1-b]ピラン-1-オン
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： C27H38N2O5S
Molecular formula furigana： C27-H38-N2-O5-S
Molecular weight： 502.670
InChI： InChI=1S/C27H38N2O5S/c1-9-25(6)14-15(30)18-26(7)16(31-22(35)21-28-12-13-29-21)10-11-23(2,3)19(26)17-20(27(18,8)34-25)33-24(4,5)32-17/h9,12-13,16-20H,1,10-11,14H2,2-8H3,(H,28,29)/t16-,17+,18-,19+,20+,25+,26-,27+/m1/s1
InChI key： PKXQIWGMSXRHMC-MYTCGESHSA-N
SMILES： CC1(C)O[C@@H]2[C@H](O1)[C@@]1(C)O[C@](C)(CC(=O)[C@@H]1[C@@]1(C)[C@@H](CCC(C)(C)[C@H]21)OC(=S)c1ncc[nH]1)C=C
Systematic name  (3)：
  • (3R,6aα,10bα)-3α-ビニル-3,4aβ,7,7,10aβ,12,12-ヘプタメチル-10β-(2-イミダゾリルカルボノチオイルオキシ)-5β,6β-(エポキシメタノキシ)ドデカヒドロ-1H-ナフト[2,1-b]ピラン-1-オン
  • (1S,2S,6S,7S,9R,12R,13S,14R)-9-エテニル-4,4,7,9,13,17,17-ヘプタメチル-11-オキソ-3,5,8-トリオキサテトラシクロ[11.4.0.02,6.07,12]ヘプタデカン-14-イル 1H-イミダゾール-2-カルボチオアート
  • (1S,2S,6S,7S,9R,12R,13S,14R)-9-ethenyl-4,4,7,9,13,17,17-heptamethyl-11-oxo-3,5,8-trioxatetracyclo[11.4.0.02,6.07,12]heptadecan-14-yl 1H-imidazole-2-carbothioate
Other name (1)：
  • (3R,6aα,10bα)-3α-Vinyl-3,4aβ,7,7,10aβ,12,12-heptamethyl-10β-(2-imidazolylcarbonothioyloxy)-5β,6β-(epoxymethanoxy)dodecahydro-1H-naphtho[2,1-b]pyran-1-one
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