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

CAS Registry Number®

171422-88-1

CAS Name

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

Molecular Formula

C20H28O6

Molecular Mass

364.43

Cite this Page

2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,6α,8aα,9β,9aβ]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171422-88-1 (retrieved 2024-11-22) (CAS RN: 171422-88-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O6/c1-6-9(2)18(23)26-17-14-10(3)19(24)25-16(14)15(22)12-7-8-13(21)11(4)20(12,17)5/h6,11-13,15-17,21-22H,7-8H2,1-5H3/b9-6-/t11-,12+,13-,15-,16-,17+,20+/m0/s1

InChIKey

InChIKey=CEFVJFNDUOLSEQ-YPCLFACHSA-N

SMILES

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

Canonical SMILES

O=C(OC1C2=C(C(=O)OC2C(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-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(Z),4aα,5α,6α,8aα,9β,9aβ]]-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration