Chem
J-GLOBAL ID：200907042650956006   Nikkaji number：J1.886.731A

(4S,7S)-2α-(4-Methoxyphenyl)-7,9β-dihydroxy-10-methylene-13α-[(benzyloxy)methoxy]-13aα,14,14-trimethyl-3aβ,4,5,6,7,9aβ,10,11,12,13,13a,13bα-dodecahydro-4,7-methanobenzo[3,4]cyclodeca[1,2-d]-1,3-dioxole-8(9H)-one

(1S,2R,4R,6R,7S,8S,12R,13S,15S)-8-[(ベンジルオキシ)メトキシ]-13,15-ジヒドロキシ-4-(4-メトキシフェニル)-7,18,18-トリメチル-11-メチリデン-3,5-ジオキサテトラシクロ[13.2.1.02,6.07,12]オクタデカン-14-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： C35H44O8
Molecular formula furigana： C35-H44-O8
Molecular weight： 592.729
InChI： InChI=1S/C35H44O8/c1-21-11-16-26(41-20-40-19-22-9-7-6-8-10-22)34(4)27(21)28(36)30(37)35(38)18-17-25(33(35,2)3)29-31(34)43-32(42-29)23-12-14-24(39-5)15-13-23/h6-10,12-15,25-29,31-32,36,38H,1,11,16-20H2,2-5H3/t25-,26+,27+,28+,29-,31+,32-,34-,35-/m1/s1
InChI key： YIYLEYAZHPKHJW-JBNOETFQSA-N
SMILES： COc1ccc(cc1)[C@@H]1O[C@@H]2[C@H]3CC[C@@](O)(C(=O)[C@@H](O)[C@@H]4C(=C)CC[C@H](OCOCc5ccccc5)[C@@]4(C)[C@H]2O1)C3(C)C
Systematic name  (3)：
  • (4S,7S)-2α-(4-メトキシフェニル)-7,9β-ジヒドロキシ-10-メチレン-13α-[(ベンジルオキシ)メトキシ]-13aα,14,14-トリメチル-3aβ,4,5,6,7,9aβ,10,11,12,13,13a,13bα-ドデカヒドロ-4,7-メタノベンゾ[3,4]シクロデカ[1,2-d]-1,3-ジオキソール-8(9H)-オン
  • (1S,2R,4R,6R,7S,8S,12R,13S,15S)-8-[(ベンジルオキシ)メトキシ]-13,15-ジヒドロキシ-4-(4-メトキシフェニル)-7,18,18-トリメチル-11-メチリデン-3,5-ジオキサテトラシクロ[13.2.1.02,6.07,12]オクタデカン-14-オン
  • (1S,2R,4R,6R,7S,8S,12R,13S,15S)-8-[(benzyloxy)methoxy]-13,15-dihydroxy-4-(4-methoxyphenyl)-7,18,18-trimethyl-11-methylidene-3,5-dioxatetracyclo[13.2.1.02,6.07,12]octadecan-14-one
Other name (1)：
  • (4S,7S)-2α-(4-Methoxyphenyl)-7,9β-dihydroxy-10-methylene-13α-[(benzyloxy)methoxy]-13aα,14,14-trimethyl-3aβ,4,5,6,7,9aβ,10,11,12,13,13a,13bα-dodecahydro-4,7-methanobenzo[3,4]cyclodeca[1,2-d]-1,3-dioxole-8(9H)-one
Thsaurus map：
Thesaurus Map

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