Chem
J-GLOBAL ID：201007078750864880   Nikkaji number：J2.855.531H

(4S)-3,4aβ,5β-Trimethyl-6β-[[(Z)-2-methyl-2-butenoyl]oxy]-9β-methoxy-4,4a,5,6,7,8,8aβ,9-octahydronaphtho[2,3-b]furan-4β-ol

(4S)-3,4aβ,5β-トリメチル-6β-[[(Z)-2-メチル-2-ブテノイル]オキシ]-9β-メトキシ-4,4a,5,6,7,8,8aβ,9-オクタヒドロナフト[2,3-b]フラン-4β-オール
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： C21H30O5
Molecular formula furigana： C21-H30-O5
Molecular weight： 362.466
InChI： InChI=1S/C21H30O5/c1-7-11(2)20(23)26-15-9-8-14-17(24-6)18-16(12(3)10-25-18)19(22)21(14,5)13(15)4/h7,10,13-15,17,19,22H,8-9H2,1-6H3/b11-7-/t13-,14+,15-,17+,19+,21+/m0/s1
InChI key： ASJPEAYAKQIGTC-YTPHICPCSA-N
SMILES： CO[C@@H]1[C@H]2CC[C@H](OC(=O)/C(=C\C)/C)[C@H](C)[C@@]2(C)[C@H](O)c2c(C)coc12
Systematic name  (3)：
  • (4S)-3,4aβ,5β-トリメチル-6β-[[(Z)-2-メチル-2-ブテノイル]オキシ]-9β-メトキシ-4,4a,5,6,7,8,8aβ,9-オクタヒドロナフト[2,3-b]フラン-4β-オール
  • (4S,4aR,5R,6S,8aS,9R)-4-ヒドロキシ-9-メトキシ-3,4a,5-トリメチル-4H,4aH,5H,6H,7H,8H,8aH,9H-ナフト[2,3-b]フラン-6-イル (2Z)-2-メチルブタ-2-エノアート
  • (4S,4aR,5R,6S,8aS,9R)-4-hydroxy-9-methoxy-3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-6-yl (2Z)-2-methylbut-2-enoate
Other name (1)：
  • (4S)-3,4aβ,5β-Trimethyl-6β-[[(Z)-2-methyl-2-butenoyl]oxy]-9β-methoxy-4,4a,5,6,7,8,8aβ,9-octahydronaphtho[2,3-b]furan-4β-ol
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