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CAS 309757-85-5

:

(3S,4R,4aR,6S,6aR,7aS,9aS,10R,11R,12S,12aR,12bS,12cS,12dR)-10-(Acetyloxy)-4,4a,6,6a,7,7a,9a,10,11,12,12a,12b,12c,12d-tetradecahydro-4a,12-dihydroxy-4,6,11-trimethyl-1-oxo-3,6-ethano-1H,3H-as-indaceno[1,2-d]pyrano[4,3-b]pyran-8-carboxylic acid

Formula:C26H34O9
InChI:InChI=1S/C26H34O9/c1-9-21(28)18-14(22(9)33-11(3)27)7-13(23(29)30)12-8-15-19(17(12)18)20-24(31)34-16-5-6-25(15,4)35-26(20,32)10(16)2/h7,9-10,12,14-22,28,32H,5-6,8H2,1-4H3,(H,29,30)/t9-,10-,12-,14+,15-,16+,17+,18+,19-,20+,21-,22+,25+,26-/m1/s1
InChI key:InChIKey=OTGHTIDLDTWPFJ-IPTFZSAZSA-N
SMILES:O[C@H]1[C@@]2([C@]3([C@@]4([C@@]5([C@]6(O)O[C@](C)([C@@]4(C[C@@]3(C(C(O)=O)=C[C@@]2([C@@H](OC(C)=O)[C@@H]1C)[H])[H])[H])CC[C@@]([C@H]6C)(OC5=O)[H])[H])[H])[H])[H]
Synonyms:
  • Hexacyclinic acid
  • 3,6-Ethano-1H,3H-as-indaceno[1,2-d]pyrano[4,3-b]pyran-8-carboxylic acid, 10-(acetyloxy)-4,4a,6,6a,7,7a,9a,10,11,12,12a,12b,12c,12d-tetradecahydro-4a,12-dihydroxy-4,6,11-trimethyl-1-oxo-, (3S,4R,4aR,6S,6aR,7aS,9aS,10R,11R,12S,12aR,12bS,12cS,12dR)-
  • (3S,4R,4aR,6S,6aR,7aS,9aS,10R,11R,12S,12aR,12bS,12cS,12dR)-10-(Acetyloxy)-4,4a,6,6a,7,7a,9a,10,11,12,12a,12b,12c,12d-tetradecahydro-4a,12-dihydroxy-4,6,11-trimethyl-1-oxo-3,6-ethano-1H,3H-as-indaceno[1,2-d]pyrano[4,3-b]pyran-8-carboxylic acid
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