(1aS,2R,2aR,2bS,3S,4R,4aR,4bS,5S,5aS,6aS,9S,9aS,9bR,10R,10aS,10bS,11R,12aS,13aS)-9,10,11-Trihydroxy-2a,4a,5,9,9a-pentamethyl-8,12-dioxodocosahydrooxireno[2,3]oxireno[6',7']naphtho[1',2':7,8]fluoreno[2 ,1-b]furan-2,3,4-triyl triacetate | CAS No. 2230777-09-8

(1aS,2R,2aR,2bS,3S,4R,4aR,4bS,5S,5aS,6aS,9S,9aS,9bR,10R,10aS,10bS,11R,12aS,13aS)-9,10,11-Trihydroxy-2a,4a,5,9,9a-pentamethyl-8,12-dioxodocosahydrooxireno[2,3]oxireno[6',7']naphtho[1',2':7,8]fluoreno[2 ,1-b]furan-2,3,4-triyl triacetate

Basic Information

CAS Number

2230777-09-8

Molecular Formula

C34H44O14

Molecular Weight

676.71 g/mol

AD

Basic Physical Properties

C[C@H]1[C@H]2[C@@H]([C@@H]([C@@H]3[C@@]2([C@H]([C@H]([C@H]4[C@H]3[C@H](C(=O)[C@@H]5[C@@]4([C@H]([C@@H]6[C@H](C5)O6)OC(=O)C)C)O)OC(=O)C)OC(=O)C)C)O)[C@]7([C@](C(=O)O[C@]78[C@H]1O8)(C)O)C

InChI

InChI=1S/C34H44O14/c1-10-17-20(32(7)33(8,42)29(41)48-34(32)26(10)47-34)23(40)18-16-19(25(43-11(2)35)28(31(17,18)6)45-13(4)37)30(5)14(21(38)22(16)39)9-15-24(46-15)27(30)44-12(3)36/h10,14-20,22-28,39-40,42H,9H2,1-8H3/t10-,14+,15-,16-,17-,18+,19+,20-,22+,23+,24-,25-,26-,27-,28-,30-,31+,32-,33+,34+/m0/s1

InChIKey

BWKYBGRKQMTOQL-MPOFNYKTSA-N

LogP

0.05300000000000399

Topological Polar Surface Area

208.01999999999998 Ų

Hydrogen Bond Donor/Acceptor

3 / 14

Synonyms & References

English

  • 16,24-Cycloergostan-26-oic acid, 1,11,12-tris(acetyloxy)-2,3:22,23-diepoxy-7,15,23,25-tetrahydroxy-6-oxo-, γ-lactone, (1α,2α,3α,5α,7β,11α,12α,15α,16β,22R,23R,25S)- (ACI)
  • Taccalonolide AJ

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