Anabsinthin

CAS Registry Number®

6903-12-4

CAS Name

Anabsinthin

Molecular Formula

C30H40O6

Molecular Mass

496.64

Cite this Page

Anabsinthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6903-12-4 (retrieved 2024-12-22) (CAS RN: 6903-12-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H40O6/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30/h12-13,15-17,19-24,33H,7-11H2,1-6H3/t12-,13-,15-,16-,17+,19-,20-,21-,22-,23-,24-,27-,28-,29-,30-/m0/s1

InChIKey

InChIKey=XDKZYFZYOVAAKJ-VXVJPEHISA-N

SMILES

C[C@@]12[C@]34[C@@]([C@@]([C@]5([C@@]3(C(C)=C6[C@@]5([C@@](C)(O)CC[C@@]7([C@@]6(OC(=O)[C@H]7C)[H])[H])[H])[H])[H])(C1)[H])([C@@](C)(O2)CC[C@@]8([C@@]4(OC(=O)[C@H]8C)[H])[H])[H]

Canonical SMILES

O=C1OC2C3=C(C)C4C(C3C(O)(C)CCC2C1C)C5CC6(OC7(C)CCC8C(C(=O)OC8C46C57)C)C

Other Names for this Substance

  • 2H-8,15-Epoxy-7,13b-ethanopentaleno[1′′,2′′:6,7;5′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12(11H)-dione, 3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-hexadecahydro-6-hydroxy-3,6,8,11,14,15-hexamethyl-, (3S,3aS,6S,6aR,6bS,7R,7aR,8S,10aS,11S,13aS,13bS,13cR,14bS,15S)-
  • Anabsinthin
  • 2H-8,15-Epoxy-7,13b-ethanopentaleno[1′′,2′′:6,7;5′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12(11H)-dione, 3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-hexadecahydro-6-hydroxy-3,6,8,11,14,15-hexamethyl-, [3S-(3α,3aα,6β,6aα,6bβ,7α,7aβ,8α,10aβ,11β,13aα,13bα,13cβ,14bβ,15R*)]-
  • (3S,3aS,6S,6aR,6bS,7R,7aR,8S,10aS,11S,13aS,13bS,13cR,14bS,15S)-3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-Hexadecahydro-6-hydroxy-3,6,8,11,14,15-hexamethyl-2H-8,15-epoxy-7,13b-ethanopentaleno[1′′,2′′:6,7;5′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12(11H)-dione
  • (+)-Anabsinthin

Deleted or Replaced CAS Registry Numbers

1397-90-6

CAS INSIGHTSTM
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