(-)-Calanolide B

CAS Registry Number®

909-14-8

CAS Name

(-)-Calanolide B

Molecular Formula

C22H26O5

Molecular Mass

370.44

Cite this Page

(-)-Calanolide B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=909-14-8 (retrieved 2024-11-25) (CAS RN: 909-14-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181-182 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m0/s1

InChIKey

InChIKey=NIDRYBLTWYFCFV-PZROIBLQSA-N

SMILES

C(CC)C=1C2=C(C3=C(C4=C2OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@@H]3O)OC(=O)C1

Canonical SMILES

O=C1OC=2C(=C3OC(C=CC3=C4OC(C)C(C)C(O)C24)(C)C)C(=C1)CCC

Other Names for this Substance

  • 2H,6H,10H-Benzo[1,2-b:3,4-b′:5,6-b′′]tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10S,11R,12S)-
  • 2H,6H,10H-Benzo[1,2-b:3,4-b′:5,6-b′′]tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, [10S-(10α,11β,12β)]-
  • 2H,8H-Benzo[1,2-b:3,4-b′]dipyran-6-acrylic acid, 3,4-dihydro-4,5-dihydroxy-2,3,8,8-tetramethyl-β-propyl-, δ-lactone
  • (10S,11R,12S)-11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,10H-benzo[1,2-b:3,4-b′:5,6-b′′]tripyran-2-one
  • NSC 661122

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