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Substance Name: Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)
RN: 71407-32-4
InChIKey: ZMSDSZSOSVXYDZ-WFNOHSCKSA-N

Molecular Formula

  • C39-H42-O10

Molecular Weight

  • 670.751
 
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Names and Synonyms

  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)

Registry Numbers

CAS Registry Number

  • 71407-32-4

System Generated Number

  • 0071407324

Structure Descriptors

InChI

1S/C39H42O10/c1-22(2)37-18-24(4)39-29(35(37)47-38(48-37,49-39)20-26-10-8-7-9-11-26)15-28(19-36(43)32(39)14-23(3)34(36)42)21-45-33(41)17-27-12-13-30(46-25(5)40)31(16-27)44-6/h7-16,24,29,32,35,43H,1,17-21H2,2-6H3/t24-,29+,32-,35-,36-,37-,38+,39?/m1/s1

InChIKey

ZMSDSZSOSVXYDZ-WFNOHSCKSA-N

Smiles

C=1[C@H]2[C@@H]3[C@@]4(C[C@H]([C@@]2([C@H]2[C@@](C(=O)C(=C2)C)(CC1COC(Cc1cc(c(cc1)OC(=O)C)OC)=O)O)O[C@@](O3)(O4)Cc1ccccc1)C)C(C)=C