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Substance Name: 2,3,14,20,22,25-Hexahydroxy-26-(3-bromoacetoxypropyl)cholest-7-en-6-one
RN: 123171-56-2
InChIKey: MKOAYSNIIVISQK-SCVJHJAUSA-N

Molecular Weight

  • 659.6499
 
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Names and Synonyms

Name of Substance

  • 2,3,14,20,22,25-Hexahydroxy-26-(3-bromoacetoxypropyl)cholest-7-en-6-one

Synonym

  • 2-Hhbpco

Registry Numbers

CAS Registry Number

  • 123171-56-2

System Generated Number

  • 0123171562

Structure Descriptors

InChI

1S/C32H51BrO9/c1-28(39,10-5-6-14-42-27(38)18-33)11-9-26(37)31(4,40)25-8-13-32(41)20-15-22(34)21-16-23(35)24(36)17-29(21,2)19(20)7-12-30(25,32)3/h15,19,21,23-26,35-37,39-41H,5-14,16-18H2,1-4H3/t19-,21?,23+,24-,25-,26+,28-,29+,30+,31+,32+/m0/s1

InChIKey

MKOAYSNIIVISQK-SCVJHJAUSA-N

Smiles

C[C@]12CC[C@H]3C(=CC(=O)C4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CC[C@](C)(CCCCOC(=O)CBr)O)O)O)O