Chem
J-GLOBAL ID：200907041792104060   Nikkaji number：J31.882E

Absinthin

アブシンチン
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： C30H40O6
Molecular formula furigana： C30-H40-O6
Molecular weight： 496.644
InChI： InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1
InChI key： PZHWYURJZAPXAN-ILOFNVQHSA-N
SMILES： C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(=C3[C@H]2OC1=O)C
Systematic name  (4)：
  • (3S)-3β,6,8,11α,14,15-ヘキサメチル-6α,8β-ジヒドロキシ-7β,13bβ-エテノ-2,3,3aβ,4,5,6,6aβ,6bα,7,7aα,8,9,10,10aα,11,12,13aβ,13b,13cα,14bα-イコサヒドロペンタレノ[1′′,2′′:6,7;5′′,4′′:6′,7′]ジシクロヘプタ[1,2-b:1′,2′-b′]ジフラン-2,12-ジオン
  • (3S)-3,3aβ,4,5,6,6aβ,6bα,7,7aα,8,9,10,10aα,13aβ,13cα,14bα-ヘキサデカヒドロ-6α,8β-ジヒドロキシ-3β,6,8,11α,14,15-ヘキサメチル-2H-7β,13bβ-エテノペンタレノ[1′′,2′′:6,7;5′′,4′′:6′,7′]ジシクロヘプタ[1,2-b:1′,2′-b′]ジフラン-2,12(11H)-ジオン
  • (1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-ジヒドロキシ-3,8,12,17,21,25-ヘキサメチル-6,23-ジオキサヘプタシクロ[13.9.2.01,16.02,14.04,13.05,9.020,24]ヘキサコサ-3,25-ジエン-7,22-ジオン
  • (1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione
Other name (6)：
  • アブシンチン
  • Absinthin
  • (3S)-3,3aβ,4,5,6,6aβ,6bα,7,7aα,8,9,10,10aα,13aβ,13cα,14bα-Hexadecahydro-6α,8β-dihydroxy-3β,6,8,11α,14,15-hexamethyl-2H-7β,13bβ-ethenopentaleno[1′′,2′′:6,7;5′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12(11H)-dione
  • (3S)-3β,6,8,11α,14,15-Hexamethyl-6α,8β-dihydroxy-7β,13bβ-etheno-2,3,3aβ,4,5,6,6aβ,6bα,7,7aα,8,9,10,10aα,11,12,13aβ,13b,13cα,14bα-icosahydropentaleno[1′′,2′′:6,7;5′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12-dione
  • (+)-アブシンチン
Show all
CAS registry number： 13624-21-0
KEGG COMPOUND： C09286
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