12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-

CAS Registry Number®

114531-28-1

CAS Name

12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-

Molecular Formula

C24H33NO4

Molecular Mass

399.52

Cite this Page

12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114531-28-1 (retrieved 2024-11-25) (CAS RN: 114531-28-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15?,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1

InChIKey

InChIKey=ZPELMDXCJZDIBP-NCANIYPBSA-N

SMILES

C[C@@]12[C@@]3([C@]4([C@]5([C@]6([C@@](C3)(O[C@@]4(N7[C@]1(OCC7)[H])[H])[H])[C@@H](OC(C)=O)C(=C)C(C5)(CC6)[H])[H])CCC2)[H]

Canonical SMILES

O=C(OC1C(=C)C2CCC13C4OC5N6CCOC6C7(C)CCCC5(C7C4)C3C2)C

Other Names for this Substance

  • 12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-
  • Isoatisine, 7,20-epoxy-, acetate (ester), (7α,15α,19S,20R)-
  • 12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), [1S-(1α,3α,4aβ,4bβ,8β,8aα,12aβ,14β,14aα,18S*)]-
  • Spiramine A
  • Spiramine C acetate (ester)

View All

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