2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,6α,8aα,9α,9aα]]-

CAS Registry Number®

171422-89-2

CAS Name

2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,6α,8aα,9α,9aα]]-

Molecular Formula

C20H28O7

Molecular Mass

380.43

Cite this Page

2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,6α,8aα,9α,9aα]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171422-89-2 (retrieved 2025-02-19) (CAS RN: 171422-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O7/c1-6-9(2)17(23)26-16-14-10(3)18(24)27-20(14,25)15(22)12-7-8-13(21)11(4)19(12,16)5/h6,11-13,15-16,21-22,25H,7-8H2,1-5H3/b9-6-/t11-,12+,13-,15+,16+,19+,20+/m0/s1

InChIKey

InChIKey=MSDFIROCDXOIAM-XPPKGDLMSA-N

SMILES

O(C(/C(=C\C)/C)=O)[C@H]1[C@@]2(C)[C@@]([C@@H](O)[C@@]3(O)C1=C(C)C(=O)O3)(CC[C@H](O)[C@@H]2C)[H]

Canonical SMILES

O=C(OC1C2=C(C(=O)OC2(O)C(O)C3CCC(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-6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,6α,8aα,9α,9aα]]-

CAS INSIGHTSTM
Lithium-ion battery