Centaurepensin

CAS Registry Number®

37006-36-3

CAS Name

Centaurepensin

Molecular Formula

C19H24Cl2O7

Molecular Mass

435.30

Cite this Page

Centaurepensin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37006-36-3 (retrieved 2025-01-07) (CAS RN: 37006-36-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-215 °C

  • Density (2)

    1.41 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15-,18+,19+/m0/s1

InChIKey

InChIKey=NUVAJKJDTZTFLK-ONCJGSTBSA-N

SMILES

C(Cl)[C@]1(O)[C@@]2([C@@]3([C@@]([C@@H](OC([C@](CCl)(C)O)=O)CC(=C)[C@@]2(C[C@@H]1O)[H])(C(=C)C(=O)O3)[H])[H])[H]

Canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(O)(C)CCl)CC(=C)C3CC(O)C(O)(CCl)C23

Other Names for this Substance

  • Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, (3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2S)-
  • Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, [3aR-[3aα,4α(S*),6aα,8β,9α,9aα,9bβ]]-
  • Azuleno[4,5-b]furan, propanoic acid deriv.
  • Centaurepensin
  • Chlorohyssopifolin A

View All

Deleted or Replaced CAS Registry Numbers

38290-02-7, 60134-08-9

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