2-Butenoic acid, 2-methyl-, (4S,4aS,5R,6S,8aR,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, (2E)-

CAS Registry Number®

162613-67-4

CAS Name

2-Butenoic acid, 2-methyl-, (4S,4aS,5R,6S,8aR,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, (2E)-

Molecular Formula

C20H28O6

Molecular Mass

364.43

Cite this Page

2-Butenoic acid, 2-methyl-, (4S,4aS,5R,6S,8aR,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-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=162613-67-4 (retrieved 2024-11-22) (CAS RN: 162613-67-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O6/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/h6,12-14,16,21,24H,7-9H2,1-5H3/b10-6+/t12-,13+,14-,16+,19+,20-/m0/s1

InChIKey

InChIKey=YOQIGAVHLYFIAF-HVYUIJJMSA-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)(CC[C@H](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-, (4S,4aS,5R,6S,8aR,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-4-yl ester, [4S-[4α(E),4aα,5α,6α,8aα,9aα]]-
  • Naphtho[2,3-b]furan, 2-butenoic acid deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration