Cabraleadiol 3-Acetate

CAS	35833-62-6
Synonyms	(3α,24S)-25-Hydroxy-20,24-epoxydammaran-3-yl acetate
IUPAC Name	[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Weight	502.78
Molecular Formula	C32H54O4
Canonical SMILES	CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H](CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)[C@@]5(CC[C@H](O5)C(C)(C)O)C)C
InChI	InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,26+,29+,30-,31-,32+/m1/s1
InChI Key	MYKPKZPRXSYQEQ-QCPMDXGFSA-N
Boiling Point	546.1±15.0 °C
Melting Point	158-160 °C
Purity	98%
Density	1.07±0.1 g/ml
Appearance	Powder