Baccharin

CAS Registry Number®

61251-97-6

CAS Name

Baccharin

Molecular Formula

C29H38O11

Molecular Mass

562.61

Cite this Page

Baccharin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61251-97-6 (retrieved 2025-02-02) (CAS RN: 61251-97-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-19-29(14-36-29)27(18,4)28(10-9-25(2)21(39-25)22(28)38-19)13-35-24(33)23-26(3,40-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3

InChIKey

InChIKey=DGBITFNXKQHKLI-UHFFFAOYSA-N

SMILES

CC12C3(C4OC5C1(CCC6(C)C5O6)COC(=O)C7C(C)(O7)C(O)COC(C(C)O)C=CC=CC(=O)OC2C4)CO3

Canonical SMILES

O=C1OC2CC3OC4C5OC5(C)CCC4(COC(=O)C6OC6(C)C(O)COC(C=CC=C1)C(O)C)C2(C)C73OC7

Other Names for this Substance

  • Verrucarin A, 7′-deoxo-2′-deoxy-2′,3′:9,10-diepoxy-9,10-dihydro-4′-hydroxy-7′-[(1R)-1-hydroxyethyl]-, (2′S,3′R,4′S,7′R,9R,10S)-
  • Verrucarin A, 7′-deoxo-2′-deoxy-2′,3′:9,10-diepoxy-9,10-dihydro-4′-hydroxy-7′-(1-hydroxyethyl)-, [2′S,3′R,4′S,7′R(R),9R,10S]-
  • Spiro[3,5-methano-14H,19H,20H-oxireno[h]oxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-4(3H),2′-oxirane], verrucarin A deriv.
  • (2′S,3′R,4′S,7′R,9R,10S)-7′-Deoxo-2′-deoxy-2′,3′:9,10-diepoxy-9,10-dihydro-4′-hydroxy-7′-[(1R)-1-hydroxyethyl]verrucarin A
  • Baccharin

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Deleted or Replaced CAS Registry Numbers

121916-12-9