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Substance Name: Cavernulin
RN: 90052-70-3
InChIKey: CVHADPUAYKPFQI-ASKWGVSQSA-N

Molecular Weight

  • 578.694
 
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Names and Synonyms

  • Cavernulin

Registry Numbers

CAS Registry Number

  • 90052-70-3

System Generated Number

  • 0090052703

Structure Descriptors

InChI

1S/C31H46O10/c1-8-10-11-12-25(34)39-22-14-13-17(3)15-23-31(37,19(5)29(36)40-23)27(35)26-18(4)16-21(38-20(6)32)28(30(22,26)7)41-24(33)9-2/h15-16,19,21-23,26-28,35,37H,8-14H2,1-7H3/b17-15-/t19-,21+,22-,23-,26+,27-,28-,30+,31-/m0/s1

InChIKey

CVHADPUAYKPFQI-ASKWGVSQSA-N

Smiles

C(CCCCC)(=O)O[C@@H]1[C@@]2([C@@H]([C@@H]([C@@]3([C@@H](OC([C@@H]3C)=O)C=C(CC1)C)O)O)C(=C[C@H]([C@@H]2OC(CC)=O)OC(=O)C)C)C