Spiro[isobenzofuran-1(3H),2′-[2H]pyran]-3′,4′,5′-triol, 6-[(4-ethylphenyl)methyl]-3′,4′,5′,6′-tetrahydro-6′-(hydroxymethyl)-, hydrate (1:1), (1S,3′R,4′S,5′S,6′R)-

CAS Registry Number®

1201913-82-7

CAS Name

Spiro[isobenzofuran-1(3H),2′-[2H]pyran]-3′,4′,5′-triol, 6-[(4-ethylphenyl)methyl]-3′,4′,5′,6′-tetrahydro-6′-(hydroxymethyl)-, hydrate (1:1), (1S,3′R,4′S,5′S,6′R)-

Molecular Formula

C22H26O6.H2O

Cite this Page

Spiro[isobenzofuran-1(3H),2′-[2H]pyran]-3′,4′,5′-triol, 6-[(4-ethylphenyl)methyl]-3′,4′,5′,6′-tetrahydro-6′-(hydroxymethyl)-, hydrate (1:1), (1S,3′R,4′S,5′S,6′R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1201913-82-7 (retrieved 2024-11-22) (CAS RN: 1201913-82-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    71-80 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1H2/t18-,19-,20+,21-,22+;/m1./s1

InChIKey

InChIKey=ZXOCGDDVNPDRIW-NHFZGCSJSA-N

SMILES

O[C@H]1[C@]2(C=3C(CO2)=CC=C(CC4=CC=C(CC)C=C4)C3)O[C@H](CO)[C@@H](O)[C@@H]1O.O

Canonical SMILES

O.OCC1OC2(OCC3=CC=C(C=C32)CC4=CC=C(C=C4)CC)C(O)C(O)C1O

Other Names for this Substance

  • Spiro[isobenzofuran-1(3H),2′-[2H]pyran]-3′,4′,5′-triol, 6-[(4-ethylphenyl)methyl]-3′,4′,5′,6′-tetrahydro-6′-(hydroxymethyl)-, hydrate (1:1), (1S,3′R,4′S,5′S,6′R)-
  • Deberza
  • Tofogliflozin hydrate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration