Azaspiracid 2

CAS Registry Number®

265996-92-7
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CAS Name

Azaspiracid 2

Molecular Formula

C48H73NO12

Molecular Mass

856.09

Cite this Page

Azaspiracid 2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=265996-92-7 (retrieved 2024-05-11) (CAS RN: 265996-92-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H73NO12/c1-26-16-34(11-9-10-12-40(50)51)55-44(21-26)13-14-47(61-44)32(7)19-35-36(58-47)20-38(54-35)43(52)48(53)33(8)18-29(4)41(60-48)30(5)23-45-22-27(2)17-37(56-45)42-39(57-45)24-46(59-42)31(6)15-28(3)25-49-46/h9,11,16,27-29,31-39,41-43,49,52-53H,5,10,12-15,17-25H2,1-4,6-8H3,(H,50,51)/b11-9+/t27-,28+,29-,31-,32+,33+,34+,35+,36+,37+,38-,39+,41-,42+,43-,44+,45-,46-,47+,48+/m0/s1

InChIKey

InChIKey=FWMJPUBOGPIFOU-ITRIPTHSSA-N

SMILES

C[C@H]1[C@@]2(O[C@@]3(CC2)O[C@H](/C=C/CCC(O)=O)C=C(C)C3)O[C@]4([C@@](C1)(O[C@]([C@H](O)[C@]5(O)O[C@H](C(C[C@]67O[C@]8([C@@]([C@](O6)(C[C@H](C)C7)[H])(O[C@@]9(C8)[C@@H](C)C[C@@H](C)CN9)[H])[H])=C)[C@@H](C)C[C@H]5C)(C4)[H])[H])[H]

Canonical SMILES

O=C(O)CCC=CC1OC2(OC3(OC4CC(OC4CC3C)C(O)C5(O)OC(C(=C)CC67OC(CC(C)C6)C8OC9(NCC(C)CC9C)CC8O7)C(C)CC5C)CC2)CC(=C1)C

Other Names for this Substance

  • 4-Pentenoic acid, 5-[(2S,2′R,2′′R,3aR,6R,6′′R,7aR)-2-[(S)-[(2R,3R,5S,6S)-6-[1-[[(2S,3′S,3aR,5S,5′R,7S,9R,9aR)-hexahydro-3′,5′,7-trimethylspiro[5,9-epoxy-2H-furo[3,2-b]oxocin-2,2′-piperidin]-5(3H)-yl]methyl]ethenyl]tetrahydro-2-hydroxy-3,5-dimethyl-2H-pyran-2-yl]hydroxymethyl]-2,3,3′,3a,4′,5′′,6,6′′,7,7a-decahydro-4′′,6-dimethyldispiro[5H-furo[3,2-b]pyran-5,2′(5′H)-furan-5′,2′′-[2H]pyran]-6′′-yl]-, (4E)-
  • (4E)-5-[(2S,2′R,2′′R,3aR,6R,6′′R,7aR)-2-[(S)-[(2R,3R,5S,6S)-6-[1-[[(2S,3′S,3aR,5S,5′R,7S,9R,9aR)-Hexahydro-3′,5′,7-trimethylspiro[5,9-epoxy-2H-furo[3,2-b]oxocin-2,2′-piperidin]-5(3H)-yl]methyl]ethenyl]tetrahydro-2-hydroxy-3,5-dimethyl-2H-pyran-2-yl]hydroxymethyl]-2,3,3′,3a,4′,5′′,6,6′′,7,7a-decahydro-4′′,6-dimethyldispiro[5H-furo[3,2-b]pyran-5,2′(5′H)-furan-5′,2′′-[2H]pyran]-6′′-yl]-4-pentenoic acid
  • Azaspiracid 2
  • 8-Methylazaspiracid
  • (-)-Azaspiracid 2

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