2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6E,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)-
CAS Registry Number®
38458-58-1
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CAS Name
2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6E,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)-Molecular Formula
C22H28O8Molecular Mass
420.45Cite this Page
2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6E,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=38458-58-1 (retrieved ) (CAS RN: 38458-58-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5-,13-10-,16-7+/t17-,18+,19+,20+/m0/s1
InChIKey
InChIKey=XYPJAWWDSQFSQA-NYBGPIHMSA-N
SMILES
O(C(/C(=C/CO)/CO)=O)[C@H]1[C@@]2([C@@](/C=C(/C)\[C@@H](OC(C)=O)C\C=C(\C)/C1)(OC(=O)C2=C)[H])[H]
Canonical SMILES
O=C(OC1CC(=CCC(OC(=O)C)C(=CC2OC(=O)C(=C)C21)C)C)C(=CCO)CO
Other Names for this Substance
- 2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6E,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2E)-
- 2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, 9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(E),6E,9S*,10Z,11aR*]]-
- Cyclodeca[b]furan, 2-butenoic acid deriv.
- Eucannabinolide
- Eucannabinolid
Deleted or Replaced CAS Registry Numbers
67667-56-5, 68539-59-3
