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Substance Name: Acnistin A
RN: 77011-62-2
InChIKey: RNORCGKHUAMBKR-APLCASCJSA-N

Molecular Formula

  • C28-H38-O6

Molecular Weight

  • 470.602
 
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Names and Synonyms

Name of Substance

  • Acnistin A

Systematic Name

  • Androst-2-en-1one, 5,16-epoxy-17-hydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo(3.2.1)oct-7-yl)-, (5beta,6beta,17beta,17(1R,4R,5R,7S))-

Registry Numbers

CAS Registry Number

  • 77011-62-2

System Generated Number

  • 0077011622

Structure Descriptors

InChI

1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15?,16?,17?,18-,19+,21-,23+,24-,25-,26-,27-,28+/m0/s1

InChIKey

RNORCGKHUAMBKR-APLCASCJSA-N

Smiles

O1[C@@H]2[C@H](C[C@@]([C@@](C1=O)(C)O)(C2)C)[C@@]1(CC[C@@H]2[C@@H]3C[C@@H]4[C@]5(CC=CC([C@@]5([C@@H]3CC[C@@]12C)C)=O)O4)O