Lactucopicrin

CAS Registry Number®

65725-11-3
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CAS Name

Lactucopicrin

Molecular Formula

C23H22O7

Molecular Mass

410.42

Cite this Page

Lactucopicrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65725-11-3 (retrieved 2024-09-07) (CAS RN: 65725-11-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1

InChIKey

InChIKey=UMVSOHBRAQTGQI-XGARDCMYSA-N

SMILES

C(O)C=1[C@@]2([C@@]3([C@@]([C@@H](OC(CC4=CC=C(O)C=C4)=O)CC(C)=C2C(=O)C1)(C(=C)C(=O)O3)[H])[H])[H]

Canonical SMILES

O=C1OC2C3C(C(=O)C=C3CO)=C(C)CC(OC(=O)CC4=CC=C(O)C=C4)C2C1=C

Other Names for this Substance

  • Benzeneacetic acid, 4-hydroxy-, (3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl ester
  • Benzeneacetic acid, 4-hydroxy-, 2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxoazuleno[4,5-b]furan-4-yl ester, [3aR-(3aα,4α,9aα,9bβ)]-
  • Lactucin, (p-hydroxyphenyl)acetate
  • Azuleno[4,5-b]furan, benzeneacetic acid deriv.
  • Lactupicrin

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Deleted or Replaced CAS Registry Numbers

81249-29-8