2-Butenoic acid, 2-methyl-, (3aR,4R,6R,6aR,7R,9aS,9bS)-7-(acetyloxy)-6-(chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,9a-dihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester, (2Z)-

CAS Registry Number®

20501-52-4

CAS Name

2-Butenoic acid, 2-methyl-, (3aR,4R,6R,6aR,7R,9aS,9bS)-7-(acetyloxy)-6-(chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,9a-dihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester, (2Z)-

Molecular Formula

C22H27ClO8

Molecular Mass

454.90

Cite this Page

2-Butenoic acid, 2-methyl-, (3aR,4R,6R,6aR,7R,9aS,9bS)-7-(acetyloxy)-6-(chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,9a-dihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-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=20501-52-4 (retrieved 2024-11-22) (CAS RN: 20501-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161-164 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H27ClO8/c1-6-10(2)19(25)30-15-8-21(27,9-23)17-14(29-13(5)24)7-11(3)22(17,28)18-16(15)12(4)20(26)31-18/h6-7,14-18,27-28H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1

InChIKey

InChIKey=WVTMFOWXYVFVDE-UPVVJIFBSA-N

SMILES

O[C@@]12[C@@]3([C@@]([C@H](OC(/C(=C\C)/C)=O)C[C@@](CCl)(O)[C@@]1([C@H](OC(C)=O)C=C2C)[H])(C(=C)C(=O)O3)[H])[H]

Canonical SMILES

O=C(OC1CC(O)(CCl)C2C(OC(=O)C)C=C(C)C2(O)C3OC(=O)C(=C)C13)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (3aR,4R,6R,6aR,7R,9aS,9bS)-7-(acetyloxy)-6-(chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,9a-dihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester, (2Z)-
  • Guaia-3,11(13)-dien-12-oic acid, 14-chloro-2β,5,6α,8β,10-pentahydroxy-, 12,6-lactone, 2-acetate 8-(2-methylcrotonate), (Z)-
  • 2-Butenoic acid, 2-methyl-, 7-(acetyloxy)-6-(chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,9a-dihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester, [3aR-[3aα,4β(Z),6α,6aα,7β,9aα,9bβ]]-
  • Azuleno[4,5-b]furan, 2-butenoic acid deriv.
  • Eupachlorin acetate

View All

Deleted or Replaced CAS Registry Numbers

110690-38-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration