(3R,4aS,6R)-3,4,4a,5,6,7-Hexahydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one

CAS Registry Number®

29913-85-7

CAS Name

(3R,4aS,6R)-3,4,4a,5,6,7-Hexahydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one

Molecular Formula

C10H14O4

Molecular Mass

198.22

Cite this Page

(3R,4aS,6R)-3,4,4a,5,6,7-Hexahydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29913-85-7 (retrieved 2024-11-22) (CAS RN: 29913-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H14O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h5-7,11-12H,2-4H2,1H3/t5-,6-,7-/m1/s1

InChIKey

InChIKey=VXOJVQJURAQQOK-FSDSQADBSA-N

SMILES

OC1=C2[C@](C[C@@H](C)OC2=O)(C[C@@H](O)C1)[H]

Canonical SMILES

O=C1OC(C)CC2C1=C(O)CC(O)C2

Other Names for this Substance

  • 1H-2-Benzopyran-1-one, 3,4,4a,5,6,7-hexahydro-6,8-dihydroxy-3-methyl-, (3R,4aS,6R)-
  • Isocoumarin, 3,4,4aα,5,6,7-hexahydro-6α,8-dihydroxy-3β-methyl-
  • 1H-2-Benzopyran-1-one, 3,4,4a,5,6,7-hexahydro-6,8-dihydroxy-3-methyl-, [3R-(3α,4aβ,6β)]-
  • (3R,4aS,6R)-3,4,4a,5,6,7-Hexahydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one
  • 6-Hydroxyramulosin

CAS INSIGHTSTM
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