Torilin

CAS Registry Number®

13018-10-5
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CAS Name

Torilin

Molecular Formula

C22H32O5

Molecular Mass

376.49

Cite this Page

Torilin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1411-16-1 (retrieved 2024-07-06) (CAS RN: 13018-10-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-78 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H32O5/c1-8-12(2)21(25)26-20-9-13(3)16-11-19(24)14(4)17(16)10-18(20)22(6,7)27-15(5)23/h8,13,16,18,20H,9-11H2,1-7H3/b12-8-/t13-,16+,18-,20+/m0/s1

InChIKey

InChIKey=IQWVFAXBJQKUDH-TXCQZRSTSA-N

SMILES

[C@@](OC(C)=O)(C)(C)[C@@H]1[C@H](OC(/C(=C\C)/C)=O)C[C@H](C)[C@@]2(C(C1)=C(C)C(=O)C2)[H]

Canonical SMILES

O=C(OC1CC(C)C2C(=C(C(=O)C2)C)CC1C(OC(=O)C)(C)C)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (5S,6R,8S,8aR)-5-[1-(acetyloxy)-1-methylethyl]-1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-2-oxo-6-azulenyl ester, (2Z)-
  • Torilin
  • 1β-Guai-4-en-3-one, 8β,11-dihydroxy-, 11-acetate 2-methylcrotonate, (Z)-
  • 2-Butenoic acid, 2-methyl-, 5-[1-(acetyloxy)-1-methylethyl]-1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-2-oxo-6-azulenyl ester, [5S-[5α,6α(Z),8α,8aα]]-

Deleted or Replaced CAS Registry Numbers

1411-16-1, 26296-53-7