(+)-Pteryxin

CAS Registry Number®

13161-75-6
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CAS Name

(+)-Pteryxin

Molecular Formula

C21H22O7

Molecular Mass

386.40

Cite this Page

(+)-Pteryxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13161-75-6 (retrieved 2024-04-28) (CAS RN: 13161-75-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    81 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1

InChIKey

InChIKey=LYUZYPKZQDYMEE-YRCPKEQFSA-N

SMILES

O(C(/C(=C\C)/C)=O)[C@@H]1C=2C3=C(C=CC2OC(C)(C)[C@@H]1OC(C)=O)C=CC(=O)O3

Canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC(C)(C)C(OC(=O)C)C(OC(=O)C(=CC)C)C32

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester, (2Z)-
  • Pteryxin
  • Crotonic acid, 2-methyl-, 10-ester with 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b′]dipyran-2-one acetate, (Z)-
  • 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester, [9R-[9α,10α(Z)]]-
  • 2H,8H-Benzo[1,2-b:3,4-b′]dipyran, 2-butenoic acid deriv.

View All

Deleted or Replaced CAS Registry Numbers

17944-23-9

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