(3aR,4R,6R,6aR,7R,9aS,9bS)-6-(Chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,7,9a-trihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate

CAS Registry Number®

20071-50-5
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CAS Name

(3aR,4R,6R,6aR,7R,9aS,9bS)-6-(Chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,7,9a-trihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate

Molecular Formula

C20H25ClO7

Molecular Mass

412.86

Cite this Page

(3aR,4R,6R,6aR,7R,9aS,9bS)-6-(Chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,7,9a-trihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20071-50-5 (retrieved 2024-09-19) (CAS RN: 20071-50-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    219-221 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1

InChIKey

InChIKey=VCAKAFVZYNRGKS-WBNZXOOCSA-N

SMILES

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

Canonical SMILES

O=C(OC1CC(O)(CCl)C2C(O)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)-6-(chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,7,9a-trihydroxy-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, 8-(2-methylcrotonate), (Z)-
  • 2-Butenoic acid, 2-methyl-, 6-(chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,7,9a-trihydroxy-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.
  • (3aR,4R,6R,6aR,7R,9aS,9bS)-6-(Chloromethyl)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6,7,9a-trihydroxy-9-methyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl (2Z)-2-methyl-2-butenoate

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