Carthamus

CAS Registry Number®

36338-96-2
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CAS Name

Carthamus

Molecular Formula

C43H42O22

Molecular Mass

910.78

Cite this Page

Carthamus.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36338-96-2 (retrieved 2024-04-19) (CAS RN: 36338-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1

InChIKey

InChIKey=WLYGSPLCNKYESI-RSUQVHIMSA-N

SMILES

O[C@@]1(C(=O)/C(=C\C2=C(O)[C@](O)(C(O)=C(C(/C=C/C3=CC=C(O)C=C3)=O)C2=O)[C@@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[H])/C(=O)C(C(/C=C/C5=CC=C(O)C=C5)=O)=C1O)[C@@]6(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[H]

Canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C=2C(=O)C(=CC=3C(=O)C(C(=O)C=CC4=CC=C(O)C=C4)=C(O)C(O)(C3O)C5OC(CO)C(O)C(O)C5O)C(=O)C(O)(C2O)C6OC(CO)C(O)C(O)C6O

Other Names for this Substance

  • 4-Cyclohexene-1,3-dione, 6-β-D-glucopyranosyl-2-[[(3S)-3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]methylene]-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-, (2Z,6S)-
  • 4-Cyclohexene-1,3-dione, 6-β-D-glucopyranosyl-2-[[3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]methylene]-5,6-dihydroxy-4-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-, [S-(R*,R*)]-
  • 4-Cyclohexene-1,3-dione, 6-β-D-glucopyranosyl-2-[[(3S)-3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]methylene]-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-, (2Z,6S)-
  • (2Z,6S)-6-β-D-Glucopyranosyl-2-[[(3S)-3-β-D-glucopyranosyl-2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-6-oxo-1,4-cyclohexadien-1-yl]methylene]-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-4-cyclohexene-1,3-dione
  • Carthamin

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Deleted or Replaced CAS Registry Numbers

1324-00-1, 11018-79-4, 11121-49-6, 28930-02-1

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