2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-9a-hydroxy-3,4a,5-trimethyl-2,6-dioxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,8aα,9aα]]-
CAS Registry Number®
162613-68-5
CAS Name
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-9a-hydroxy-3,4a,5-trimethyl-2,6-dioxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,8aα,9aα]]-Molecular Formula
C20H26O6Molecular Mass
362.42Cite this Page
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-9a-hydroxy-3,4a,5-trimethyl-2,6-dioxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,8aα,9aα]]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=162613-68-5 (retrieved ) (CAS RN: 162613-68-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H26O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-13,16,24H,7-9H2,1-5H3/b10-6-/t12-,13+,16+,19+,20-/m0/s1
InChIKey
InChIKey=WKMBTXJFBQEZHO-PTCPTGMSSA-N
SMILES
O(C(/C(=C\C)/C)=O)[C@H]1[C@@]2(C)[C@@](C[C@@]3(O)C1=C(C)C(=O)O3)(CCC(=O)[C@@H]2C)[H]
Canonical SMILES
O=C(OC1C2=C(C(=O)OC2(O)CC3CCC(=O)C(C)C13C)C)C(=CC)C
Other Names for this Substance
- 2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-9a-hydroxy-3,4a,5-trimethyl-2,6-dioxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,8aα,9aα]]-
