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Substance Name: 16alpha-Isothiocyanopregnenolone-3-acetate
RN: 6084-04-4
InChIKey: OTQCKYVOOJVJQT-SZMXVKILSA-N

Molecular Weight

  • 415.595
 
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Names and Synonyms

Name of Substance

  • 16alpha-Isothiocyanopregnenolone-3-acetate

Synonym

  • 16-Isothiocyanopregnenolone 3-acetate

Systematic Name

  • 3beta-(Acetyloxy)-16alpha-isothiocyanatopregn-5-en-20-one

Registry Numbers

CAS Registry Number

  • 6084-04-4

System Generated Number

  • 0006084044

Structure Descriptors

InChI

1S/C24H33NO3S/c1-14(26)22-21(25-13-29)12-20-18-6-5-16-11-17(28-15(2)27)7-9-23(16,3)19(18)8-10-24(20,22)4/h5,17-22H,6-12H2,1-4H3/t17-,18+,19-,20-,21+,22-,23-,24-/m0/s1

InChIKey

OTQCKYVOOJVJQT-SZMXVKILSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4C[C@H]([C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)N=C=S)OC(=O)C