Chem
J-GLOBAL ID：200907002133793758   Nikkaji number：J2.437.465C

Dysoxylin B

ジソキシリンB
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： C37H46O10
Molecular formula furigana： C37-H46-O10
Molecular weight： 650.765
InChI： InChI=1S/C37H46O10/c1-19(38)45-27-15-25-36(5,24-13-12-23(35(24,27)4)22-14-29(41)43-17-22)32(47-33(42)21-10-8-7-9-11-21)30-31-34(3,18-44-30)26(40)16-28(37(25,31)6)46-20(2)39/h7-11,13,22-23,25-28,30-32,40H,12,14-18H2,1-6H3/t22?,23-,25-,26+,27-,28-,30?,31-,32+,34+,35-,36-,37-/m0/s1
InChI key： WQTCOYZGFHLZHE-CFCYGYIWSA-N
SMILES： CC(=O)O[C@H]1C[C@@H]2[C@]3(C)[C@H]4C(OC[C@]4(C)[C@H](O)C[C@@H]3OC(=O)C)[C@@H](OC(=O)c3ccccc3)[C@@]2(C)C2=CC[C@@H](C3COC(=O)C3)[C@]12C
Systematic name  (3)：
  • 1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11aβ,11b,11cβ-ヘキサデカヒドロ-3aα,6aα,9aβ,11bα-テトラメチル-9β-(2-オキソテトラヒドロフラン-4-イル)シクロペンタ[7,8]フェナントロ[10,1-bc]フラン-1β,3β,6β,10β-テトラオール1,10-ジアセタート6-ベンゾアート
  • (1R,2R,4S,5S,6S,10R,11S,15R,16R,18S,19R)-4,18-ビス(アセチルオキシ)-16-ヒドロキシ-1,5,10,15-テトラメチル-6-(5-オキソオキソラン-3-イル)-13-オキサペンタシクロ[10.6.1.02,10.05,9.015,19]ノナデカ-8-エン-11-イル ベンゾアート
  • (1R,2R,4S,5S,6S,10R,11S,15R,16R,18S,19R)-4,18-bis(acetyloxy)-16-hydroxy-1,5,10,15-tetramethyl-6-(5-oxooxolan-3-yl)-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-11-yl benzoate
Other name (3)：
  • 1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11aβ,11b,11cβ-Hexadecahydro-3aα,6aα,9aβ,11bα-tetramethyl-9β-(2-oxotetrahydrofuran-4-yl)cyclopenta[7,8]phenanthro[10,1-bc]furan-1β,3β,6β,10β-tetraol 1,10-diacetate 6-benzoate
  • ジソキシリンB
  • Dysoxylin B
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