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Substance Name: Phtheirospermoside
RN: 113953-02-9
InChIKey: HMBUDSFBGGISFT-VKXUQZJSSA-N

Molecular Formula

  • C30-H38-O15

Molecular Weight

  • 638.615
 
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Names and Synonyms

Results Name

  • Phtheirospermoside

Synonym

  • Phtheirospermoside

Systematic Name

  • beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3-hydroxy-4-methoxyphenyl)-2-propenoate), (E)-

Registry Numbers

CAS Registry Number

  • 113953-02-9

System Generated Number

  • 0113953029

Structure Descriptors

InChI

1S/C30H38O15/c1-4-41-29-30(39,16-7-8-17(32)18(33)12-16)27(45-28-25(38)24(37)23(36)14(2)42-28)26(21(13-31)43-29)44-22(35)10-6-15-5-9-20(40-3)19(34)11-15/h5-12,14,21,23-29,31-34,36-39H,4,13H2,1-3H3/b10-6+/t14-,21+,23-,24+,25+,26+,27-,28-,29+,30+/m0/s1

InChIKey

HMBUDSFBGGISFT-VKXUQZJSSA-N

Smiles

O([C@H]1[C@](O)([C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](O2)C)[C@@H]([C@H](O1)CO)OC(\C=C\c1cc(c(cc1)OC)O)=O)c1cc(c(cc1)O)O)CC