Praeruptorin B

CAS Registry Number®

73069-28-0
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CAS Name

Praeruptorin B

Molecular Formula

C24H26O7

Molecular Mass

426.46

Cite this Page

Praeruptorin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73069-28-0 (retrieved 2024-07-05) (CAS RN: 73069-28-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-168 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21-/m0/s1

InChIKey

InChIKey=PNTWXEIQXBRCPS-UWOGZXHISA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (9S,10S)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-9,10-diyl ester, (2Z,2′Z)-
  • 2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-9,10-diyl ester, [9S-[9α(Z),10α(Z)]]-
  • 2H,8H-Benzo[1,2-b:3,4-b′]dipyran, 2-butenoic acid deriv.
  • Praeruptorin B
  • (+)-Praeruptorin B

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Deleted or Replaced CAS Registry Numbers

20107-14-6, 81740-07-0