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Substance Name: Handelin
RN: 62687-22-3
InChIKey: DSNIKOZTDZBWKD-XMNJDQQWSA-N

Note

  • Chinese drug isolated from flowers of Chrysanthemum indicum L.

Molecular Formula

  • C32-H40-O8

Molecular Weight

  • 552.66
 
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Names and Synonyms

Name of Substance

  • Handelin

Synonyms

  • ye ju-Hua
  • Yejuhua lactone

Systematic Name

  • Spiro(azuleno(4,5-b)furan-3(2H),10'-(4H-6a,9)ethanoazuleno(4,5-b)furan)-2,2'(3'H)-dione, 4-(acetyloxy)-3a,3'a,4,5,5',6,6',6a,7,9',9a,9'a,9b,9'b-tetradecahydro-6,6'-dihydroxy-6,6',9,9'-tetramethyl-3'-methylene-, (3'aS-(3'aalpha,6'alpha,6'aa lpha,9'alpha,9'aalpha,9'bbeta,10'S*(3aS*,4R*,6S*,6aS*,9aS*,9bS*)))-

Registry Numbers

CAS Registry Number

  • 62687-22-3

System Generated Number

  • 0062687223

Structure Descriptors

InChI

1S/C32H40O8/c1-15-7-8-19-22(15)24-20(13-21(30(19,6)37)38-17(3)33)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-29(31,5)36)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18?,19?,20?,21-,22?,23+,24+,25?,28?,29-,30+,31?,32?/m1/s1

InChIKey

DSNIKOZTDZBWKD-XMNJDQQWSA-N

Smiles

CC1=CCC2C1[C@@H]3C(C[C@H]([C@@]2(C)O)OC(=O)C)C4(CC56C=CC4(C5[C@@H]7C(CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3