Chem
J-GLOBAL ID：201807019673708288   Nikkaji number：J3.726.617E

2,2,4aα,6,9β-Pentamethyl-4β-(methoxymethoxy)-7β-[(1E,4S)-1-methyl-4-(methoxymethoxy)-5-(2,2,5α-trimethyl-6α-isopropyl-1,3-dioxane-4β-yl)-1-pentenyl]-8α-vinyl-3aβ,4,4a,7,8,8aα,9,9aβ-octahydronaphtho[2,3-d]-1,3-dioxole

2,2,4aα,6,9β-ペンタメチル-4β-(メトキシメトキシ)-7β-[(1E,4S)-1-メチル-4-(メトキシメトキシ)-5-(2,2,5α-トリメチル-6α-イソプロピル-1,3-ジオキサン-4β-イル)-1-ペンテニル]-8α-ビニル-3aβ,4,4a,7,8,8aα,9,9aβ-オクタヒドロナフト[2,3-d]-1,3-ジオキソール
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： C38H64O8
Molecular formula furigana： C38-H64-O8
Molecular weight： 648.922
InChI： InChI=1S/C38H64O8/c1-15-28-30(23(4)16-17-27(41-20-39-13)18-29-25(6)32(22(2)3)44-36(8,9)43-29)24(5)19-38(12)31(28)26(7)33-34(35(38)42-21-40-14)46-37(10,11)45-33/h15-16,19,22,25-35H,1,17-18,20-21H2,2-14H3/b23-16+/t25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,38-/m0/s1
InChI key： DRTVTOIXYOWHJJ-VPNTWDMMSA-N
SMILES： COCO[C@@H](C/C=C(\C)/[C@H]1[C@H](C=C)[C@H]2[C@@H](C)[C@@H]3OC(C)(C)O[C@@H]3[C@@H](OCOC)[C@@]2(C)C=C1C)C[C@@H]1OC(C)(C)O[C@@H](C(C)C)[C@H]1C
Systematic name  (3)：
  • 2,2,4aα,6,9β-ペンタメチル-4β-(メトキシメトキシ)-7β-[(1E,4S)-1-メチル-4-(メトキシメトキシ)-5-(2,2,5α-トリメチル-6α-イソプロピル-1,3-ジオキサン-4β-イル)-1-ペンテニル]-8α-ビニル-3aβ,4,4a,7,8,8aα,9,9aβ-オクタヒドロナフト[2,3-d]-1,3-ジオキソール
  • (4S,5S,6S)-4-[(2S,4E)-5-[(3aS,4R,4aS,5R,6R,8aR,9S,9aS)-5-エテニル-9-(メトキシメトキシ)-2,2,4,7,8a-ペンタメチル-2H,3aH,4H,4aH,5H,6H,8aH,9H,9aH-ナフト[2,3-d][1,3]ジオキソール-6-イル]-2-(メトキシメトキシ)ヘキサ-4-エン-1-イル]-2,2,5-トリメチル-6-(プロパン-2-イル)-1,3-ジオキサン
  • (4S,5S,6S)-4-[(2S,4E)-5-[(3aS,4R,4aS,5R,6R,8aR,9S,9aS)-5-ethenyl-9-(methoxymethoxy)-2,2,4,7,8a-pentamethyl-2H,3aH,4H,4aH,5H,6H,8aH,9H,9aH-naphtho[2,3-d][1,3]dioxol-6-yl]-2-(methoxymethoxy)hex-4-en-1-yl]-2,2,5-trimethyl-6-(propan-2-yl)-1,3-dioxane
Other name (1)：
  • 2,2,4aα,6,9β-Pentamethyl-4β-(methoxymethoxy)-7β-[(1E,4S)-1-methyl-4-(methoxymethoxy)-5-(2,2,5α-trimethyl-6α-isopropyl-1,3-dioxane-4β-yl)-1-pentenyl]-8α-vinyl-3aβ,4,4a,7,8,8aα,9,9aβ-octahydronaphtho[2,3-d]-1,3-dioxole
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