Aphagranin A

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Catalog Number ACM1318173533
CAS 1318173-53-3
IUPAC Name (5R,9R,10R,13S,14S,17S)-17-[(2S,5S)-5-hydroxy-1,1,6-trimethoxy-6-methyl-4-oxoheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Weight 546.79
Molecular Formula C33H54O6
Canonical SMILES CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CCC4C(CC(=O)C(C(C)(C)OC)O)C(OC)OC)C)C)C
Inchi InChI=1S/C33H54O6/c1-29(2)25-12-11-23-22(31(25,5)16-15-26(29)35)14-18-32(6)21(13-17-33(23,32)7)20(28(37-8)38-9)19-24(34)27(36)30(3,4)39-10/h11,20-22,25,27-28,36H,12-19H2,1-10H3/t20-,21-,22-,25-,27+,31+,32-,33+/m0/s1
InChIKey AFCYWZPQVMRZHS-FHUISOBUSA-N
Purity 98%
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