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Substance Name: Melledonal C
RN: 117458-35-2
InChIKey: RCBZBPPFXBBNCD-IQEKTTGQSA-N

Molecular Formula

  • C24-H29-Cl-O8

Molecular Weight

  • 480.938
 
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Names and Synonyms

Results Name

  • Melledonal C

Synonym

  • Melledonal C

Systematic Name

  • Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-,3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester, (2R-(2alpha,2abeta,4aalpha,7beta,7aalpha,7bbeta))-

Registry Numbers

CAS Registry Number

  • 117458-35-2

System Generated Number

  • 0117458352

Structure Descriptors

InChI

1S/C24H29ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,9,15,18-19,27-28,30-31H,8,10H2,1-5H3/t15-,18-,19-,22-,23+,24+/m1/s1

InChIKey

RCBZBPPFXBBNCD-IQEKTTGQSA-N

Smiles

C(c1c(c(c(cc1O)OC)Cl)C)(=O)O[C@@H]1C[C@@]2([C@H]3[C@H](C(C[C@@]3(C=C([C@@]12O)C=O)O)(C)C)O)C