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Substance Name: 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha)-
RN: 65027-00-1
InChIKey: IRRHFODGOMSPEE-XUIZEMEISA-N

Molecular Formula

  • C27-H45-N-O2

Molecular Weight

  • 415.6575
 
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Names and Synonyms

Synonym

  • Isoteinemine

Systematic Name

  • 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 65027-00-1

System Generated Number

  • 0065027001

Structure Descriptors

InChI

1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17+,19?,20+,21-,22-,23+,24+,25-,26-,27-/m0/s1

InChIKey

IRRHFODGOMSPEE-XUIZEMEISA-N

Smiles

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