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Substance Name: 3-Deacetylsalannin
RN: 1110-56-1
InChIKey: MJNRBOGIPLCVIM-SQYKGVRPSA-N

Molecular Formula

  • C32-H42-O8

Molecular Weight

  • 554.6758
 
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Names and Synonyms

Results Name

  • 3-Deacetylsalannin

Synonym

  • 3-Deacetylsalannin

Systematic Name

  • 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-((2-methyl-1-oxo-2-butenyl)oxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 1110-56-1

System Generated Number

  • 0001110561

Structure Descriptors

InChI

1S/C32H42O8/c1-8-16(2)29(35)40-23-13-22(33)30(4)15-38-26-27(30)31(23,5)21(12-24(34)36-7)32(6)25-17(3)19(18-9-10-37-14-18)11-20(25)39-28(26)32/h8-10,14,19-23,26-28,33H,11-13,15H2,1-7H3/b16-8+/t19-,20?,21?,22-,23+,26-,27?,28-,30-,31?,32?/m1/s1

InChIKey

MJNRBOGIPLCVIM-SQYKGVRPSA-N

Smiles

C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3C2C1(C(C4([C@@H]3OC5C4=C([C@@H](C5)c6ccoc6)C)C)CC(=O)OC)C)C)O