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Substance Name: Caprospinol
RN: 4952-56-1
UNII: 9BU4T267E4
InChIKey: VMOZFSWFUBLCNN-AAPULDEBSA-N

Molecular Formula

  • C33-H52-O4

Molecular Weight

  • 512.7698
 
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Names and Synonyms

Name of Substance

  • Caprospinol

Synonyms

  • ((20S,22R,25R)-Spirosta-5-ene-3beta-ol)hexanoate
  • (22R,25R)-20alpha-Spirost-5-en-3beta-yl hexanoate
  • Caprospinol
  • Diosgenin caproate
  • Diosgenin, hexanoate
  • J2.343.184J
  • SP-233
  • Spirost-5-en-3-ol, 3-hexanoate, (3beta,25R)-
  • UNII-9BU4T267E4

Registry Numbers

CAS Registry Number

  • 4952-56-1

FDA UNII

  • 9BU4T267E4

System Generated Number

  • 0004952561

Structure Descriptors

InChI

1S/C33H52O4/c1-6-7-8-9-29(34)36-24-13-15-31(4)23(18-24)10-11-25-26(31)14-16-32(5)27(25)19-28-30(32)22(3)33(37-28)17-12-21(2)20-35-33/h10,21-22,24-28,30H,6-9,11-20H2,1-5H3/t21-,22+,24+,25-,26+,27+,28+,30+,31+,32+,33-/m1/s1

InChIKey

VMOZFSWFUBLCNN-AAPULDEBSA-N

Smiles

CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@H]45)[C@@H]3CC=C2C1