Absinthin
CAS Registry Number®
1362-42-1
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CAS Name
AbsinthinMolecular Formula
C30H40O6Molecular Mass
496.64Cite this Page
Absinthin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1362-42-1 (retrieved ) (CAS RN: 1362-42-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
179-180 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1
InChIKey
InChIKey=PZHWYURJZAPXAN-ILOFNVQHSA-N
SMILES
CC=1[C@@]23[C@@]4([C@]([C@]([C@]2([C@@](C)(O)CC[C@@]5([C@@]3(OC(=O)[C@H]5C)[H])[H])[H])(C1)[H])([C@@]6(C(=C4C)[C@@]7([C@@](CC[C@]6(C)O)([C@H](C)C(=O)O7)[H])[H])[H])[H])[H]
Canonical SMILES
O=C1OC2C3=C(C)C4C(C5C=C(C)C64C7OC(=O)C(C)C7CCC(O)(C)C56)C3C(O)(C)CCC2C1C
Other Names for this Substance
- 2H-7,13b-Ethenopentaleno[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-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-, (3S,3aS,6S,6aR,6bS,7S,7aR,8S,10aS,11S,13aS,13bR,13cR,14bS)-
- Absinthin
- 2H-7,13b-Ethenopentaleno[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-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-, [3S-(3α,3aα,6β,6aα,6bβ,7α,7aβ,8α,10aβ,11β,13aα,13bα,13cβ,14bβ)]-
- (3S,3aS,6S,6aR,6bS,7S,7aR,8S,10aS,11S,13aS,13bR,13cR,14bS)-3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-Hexadecahydro-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-2H-7,13b-ethenopentaleno[1′′,2′′:6,7;5′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12(11H)-dione
- NSC 407315
Deleted or Replaced CAS Registry Numbers
6020-12-8
