Desmethylspirolide-C - CAS 334974-07-1

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Catalog Number: T000168

CAS Number: 334974-07-1

PubChem Substance ID:355160038

Molecular Formula: C42H61NO7

Molecular Weight:691.95

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

• Synonyms: Desmethylspirolide C; 13-Desmethyl C spirolide

Property

• Molecular Formula: C42H61NO7
• Molecular Weight: 691.95
• Purity: ≥95%
• Storage: -20°C

Computed Descriptor

• InChI: InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3/b26-20-/t28-,29-,31-,32-,34-,35-,36+,39+,40+,41+,42+/m0/s1
• InChIKey: TWYUDVVIPSUDIG-MOIQTNNZSA-N
• SMILES: CC1CC23CCC(=C(C2C=C(C(CC4CCC5(O4)CCC6(O5)C(CCC(O6)CC(=C)CCCC3=NCC1C)(C)O)O)C)C)C7C=C(C(=O)O7)C