Catalog Number:
AG00ABOY
Chemical Name:
Pseudobufarenogin
CAS Number:
17008-69-4
Molecular Formula:
C24H32O6
Molecular Weight:
416.5073
MDL Number:
MFCD01751491
IUPAC Name:
5-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
InChI:
InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19,21,25,28-29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,21+,22+,23+,24+/m1/s1
InChI Key:
SOGONHOGEFLVPE-BHZHDSHXSA-N
SMILES:
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C(=O)[C@H](O)[C@]2([C@]1(O)CC[C@@H]2c1ccc(=O)oc1)C)C
