Acnistin E
Molecular Formula:
C28H38O7
InChI: InChI=1/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17u,18-,20-,21+,23-,24-,25-,26-,27+,28+/m0/s1
InChIKey: InChIKey=FKQUQCYOBZEPTK-SYJXLYSMBA
SMILES: CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6
Names:
Acnistin E
Androst-2-en-1-one, 5,6-epoxy-4,17-dihydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxobicyclo(3.2.1)oct-7-yl)-, (4beta,5beta,6,beta,17beta,17(1R,4R,5R,7S))-
NSC 324043
76994-39-3
Registries:
PubChem CID 73054
PubChem ID 215294
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