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Substance Name: 7,8-Dihydroxy-3,4,15-triacetoxyscirpenol
RN: 1664355-29-6
UNII: N3NC3WO30F
InChIKey: URJKZBKWIWMEQI-IGZVRCDWSA-N

Molecular Formula

  • C21-H28-O10

Molecular Weight

  • 440.4422
 
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Names and Synonyms

Name of Substance

  • 7,8-Dihydroxy-3,4,15-triacetoxyscirpenol

Synonyms

  • 7,8-Dihydroxy-3,4,15-triacetoxyscirpenol
  • Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane)-3,4,6,7(6H)-tetrol, 5a-((acetyloxy)methyl)-2,3,4,5,7,9a-hexahydro-5,8-dimethyl-, 3,4-diacetate, (2R,2'S,3R,4S,5S,5aR,6S,7R,9aR)-
  • UNII-N3NC3WO30F

Registry Numbers

CAS Registry Number

  • 1664355-29-6

FDA UNII

  • N3NC3WO30F

System Generated Number

  • 1664355296

Structure Descriptors

InChI

1S/C21H28O10/c1-9-6-13-20(7-27-10(2)22,16(26)14(9)25)19(5)17(30-12(4)24)15(29-11(3)23)18(31-13)21(19)8-28-21/h6,13-18,25-26H,7-8H2,1-5H3/t13-,14-,15-,16-,17-,18-,19-,20-,21+/m1/s1

InChIKey

URJKZBKWIWMEQI-IGZVRCDWSA-N

Smiles

CC(=O)OC[C@]12[C@H](O)[C@H](O)C(=C[C@H]1O[C@@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]2(C)[C@]34CO4)C