17Alpha-Neriifolin

Catalog	BBC7044317
CAS	7044-31-7
Synonyms	17α-Neriifolin
IUPAC Name	3-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular Weight	534.69
Molecular Formula	C30H46O8
Canonical SMILES	C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
InChI	InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20-,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1
InChI Key	VPUNMTHWNSJUOG-SIMHPCIKSA-N
Boiling Point	700.1±60.0 °C
Purity	98%
Density	1.27±0.1 g/ml
Appearance	Solid
pKa	12.92±0.70