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Substance Name: Proresiniferatoxin
RN: 57444-61-8
InChIKey: DAZVCHHJEVMXLP-RGTVDHTPSA-N

Molecular Formula

  • C37-H42-O10

Molecular Weight

  • 646.729
 
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Names and Synonyms

Results Name

  • Proresiniferatoxin

Synonym

  • Proresiniferatoxin

Systematic Name

  • Benzeneacetic acid, 3-hydroxy-5-methoxy-, ((3aR,6aS,7R,8R,10R,10aR,10bS)-3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,8,10a-trihydroxy-2,10-dimethyl-8-(1-methylethenyl)-3-oxo-7-((phenylacetyl)oxy)benz(e)azulen-5-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 57444-61-8

System Generated Number

  • 0057444618

Structure Descriptors

InChI

1S/C37H42O10/c1-21(2)35(42)18-23(4)37(44)29(34(35)47-32(40)15-24-9-7-6-8-10-24)14-26(19-36(43)30(37)11-22(3)33(36)41)20-46-31(39)16-25-12-27(38)17-28(13-25)45-5/h6-14,17,23,29-30,34,38,42-44H,1,15-16,18-20H2,2-5H3/t23-,29+,30-,34-,35-,36-,37-/m1/s1

InChIKey

DAZVCHHJEVMXLP-RGTVDHTPSA-N

Smiles

c1(cc(cc(c1)OC)O)CC(=O)OCC1=C[C@@H]2[C@@]([C@@H]3C=C(C([C@@]3(C1)O)=O)C)([C@@H](C[C@]([C@@H]2OC(=O)Cc1ccccc1)(C(=C)C)O)C)O