Chem
J-GLOBAL ID：200907005520982576   Nikkaji number：J1.529.735B

Triacetic acid (6R)-6β-(4-acetoxyphenyl)-11β-(3,5-diacetoxyphenyl)-6,6aβ,11,11aα-tetrahydrobenzo[b]indeno[2,1-d]pyran-3,8,10-triyl ester

三酢酸(6R)-6β-(4-アセトキシフェニル)-11β-(3,5-ジアセトキシフェニル)-6,6aβ,11,11aα-テトラヒドロベンゾ[b]インデノ[2,1-d]ピラン-3,8,10-トリイル
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： C40H34O13
Molecular formula furigana： C40-H34-O13
Molecular weight： 722.699
InChI： InChI=1S/C40H34O13/c1-19(41)47-27-9-7-25(8-10-27)40-39-33-16-31(51-23(5)45)18-35(52-24(6)46)37(33)36(26-13-29(49-21(3)43)15-30(14-26)50-22(4)44)38(39)32-12-11-28(48-20(2)42)17-34(32)53-40/h7-18,36,38-40H,1-6H3/t36-,38-,39-,40+/m1/s1
InChI key： BLGMQHYSGYEACT-CWFZHZTBSA-N
SMILES： CC(=O)Oc1ccc(cc1)[C@@H]1Oc2cc(OC(=O)C)ccc2[C@H]2[C@H]1c1cc(OC(=O)C)cc(OC(=O)C)c1[C@H]2c1cc(OC(=O)C)cc(OC(=O)C)c1
Systematic name  (3)：
  • 三酢酸(6R)-6β-(4-アセトキシフェニル)-11β-(3,5-ジアセトキシフェニル)-6,6aβ,11,11aα-テトラヒドロベンゾ[b]インデノ[2,1-d]ピラン-3,8,10-トリイル
  • (1R,9R,10S,17R)-13,15-ビス(アセチルオキシ)-9-[4-(アセチルオキシ)フェニル]-17-[3,5-ビス(アセチルオキシ)フェニル]-8-オキサテトラシクロ[8.7.0.02,7.011,16]ヘプタデカ-2,4,6,11,13,15-ヘキサエン-5-イル アセタート
  • (1R,9R,10S,17R)-13,15-bis(acetyloxy)-9-[4-(acetyloxy)phenyl]-17-[3,5-bis(acetyloxy)phenyl]-8-oxatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-5-yl acetate
Other name (1)：
  • Triacetic acid (6R)-6β-(4-acetoxyphenyl)-11β-(3,5-diacetoxyphenyl)-6,6aβ,11,11aα-tetrahydrobenzo[b]indeno[2,1-d]pyran-3,8,10-triyl ester
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