2-Butenoic acid, 2-methyl-, (3aR,4R,5Z,7S,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2Z)-
CAS Registry Number®
79491-59-1
CAS Name
2-Butenoic acid, 2-methyl-, (3aR,4R,5Z,7S,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2Z)-Molecular Formula
C22H28O8Molecular Mass
420.45Cite this Page
2-Butenoic acid, 2-methyl-, (3aR,4R,5Z,7S,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2Z)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=79491-59-1 (retrieved ) (CAS RN: 79491-59-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H28O8/c1-6-11(2)21(26)29-18-7-12(3)16(25)9-17(28-14(5)24)15(10-23)8-19-20(18)13(4)22(27)30-19/h6-8,16-20,23,25H,4,9-10H2,1-3,5H3/b11-6-,12-7-,15-8-/t16-,17-,18+,19+,20+/m0/s1
InChIKey
InChIKey=ZFUOPNBNUOUKMM-NDSOHZTDSA-N
SMILES
O(C(/C(=C\C)/C)=O)[C@H]/1[C@@]2([C@@](/C=C(/CO)\[C@@H](OC(C)=O)C[C@H](O)/C(/C)=C1)(OC(=O)C2=C)[H])[H]
Canonical SMILES
O=C(OC1C=C(C)C(O)CC(OC(=O)C)C(=CC2OC(=O)C(=C)C12)CO)C(=CC)C
Other Names for this Substance
- 2-Butenoic acid, 2-methyl-, (3aR,4R,5Z,7S,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2Z)-
- 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4R*(Z),5Z,7S*,9S*,10Z,11aR*]]-
- Eupacunolin