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Substance Name: 16,28-Secosolanid-22(28)-en-3-ol, (3beta,5alpha,25beta)-
RN: 984-82-7
InChIKey: MSKAAWFUKWQOQS-YNAJWQGRSA-N

Molecular Formula

  • C27-H45-N-O

Molecular Weight

  • 399.6585
 
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Names and Synonyms

Synonym

  • (3beta,5alpha,25beta)-16,28-Secosolanid-22(28)-en-3-ol

Systematic Name

  • 16,28-Secosolanid-22(28)-en-3-ol, (3beta,5alpha,25beta)-

Registry Numbers

CAS Registry Number

  • 984-82-7

System Generated Number

  • 0000984827

Structure Descriptors

InChI

1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-24,29H,5-16H2,1-4H3/t17-,18+,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChIKey

MSKAAWFUKWQOQS-YNAJWQGRSA-N

Smiles

C[C@@H]1CCC(=NC1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C