16-Acetoxy-7-O-acetylhormine

Catalog	BBC269742394
CAS	269742-39-4
Structure
Synonyms	1,4-Phenanthrenedione, 10-(acetyloxy)-2-[2-(acetyloxy)-1-methylethyl]-4b,5,6,7,8,8a,9,10-octahydro-3-hydroxy-4b,8,8-trimethyl-, (4bS,8aS,10R)-
IUPAC Name	2-[(4bS,8aS,10R)-10-acetyloxy-1-hydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate
Molecular Weight	432.51
Molecular Formula	C24H32O7
Canonical SMILES	CC(COC(=O)C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3C[C@H]2OC(=O)C)(C)C)C)O
InChI	InChI=1S/C24H32O7/c1-12(11-30-13(2)25)17-20(27)18-15(31-14(3)26)10-16-23(4,5)8-7-9-24(16,6)19(18)22(29)21(17)28/h12,15-16,27H,7-11H2,1-6H3/t12?,15-,16+,24+/m1/s1
InChI Key	DPCAYMPTUWTOLE-IASILQIZSA-N
Boiling Point	534.0±50.0 °C
Purity	98%
Density	1.23±0.1 g/ml
Appearance	Solid
pKa	4.50±1.00