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Substance Name: Gomphoside
RN: 36597-51-0
InChIKey: NARSCJXMGRWWIL-KDDCLYFASA-N

Molecular Formula

  • C29-H42-O8

Molecular Weight

  • 518.6428
 
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Names and Synonyms

Name of Substance

  • Gomphoside

Systematic Name

  • Card-20(22)-enolide, 14-hydroxy-2,3-((tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha(2S,3S,4R,6R),3beta,5alpha)-

Registry Numbers

CAS Registry Number

  • 36597-51-0

System Generated Number

  • 0036597510

Structure Descriptors

InChI

1S/C29H42O8/c1-15-10-23(30)29(33)25(35-15)36-22-13-26(2)17(12-21(22)37-29)4-5-20-19(26)6-8-27(3)18(7-9-28(20,27)32)16-11-24(31)34-14-16/h11,15,17-23,25,30,32-33H,4-10,12-14H2,1-3H3/t15-,17+,18-,19+,20-,21+,22+,23-,25+,26+,27-,28?,29+/m1/s1

InChIKey

NARSCJXMGRWWIL-KDDCLYFASA-N

Smiles

C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@H]3C[C@]4([C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C5(CC[C@@H]6C7=CC(=O)OC7)O)C)C[C@@H]3O2)C)O)O