27-Hydroxymangiferonic Acid

CAS	5132-66-1
Synonyms	9,19-Cyclolanost-24-en-26-oic acid, 27-hydroxy-3-oxo-, (24E)-
IUPAC Name	(E,6R)-2-(hydroxymethyl)-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
Molecular Weight	470.68
Molecular Formula	C30H46O4
Canonical SMILES	C[C@H](CC/C=C(\CO)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CCC(=O)C5(C)C)C)C
InChI	InChI=1S/C30H46O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-23,31H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8+/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1
InChI Key	VEPCBVRKVVOSDM-KCHVJCDVSA-N
Boiling Point	615.6±35.0 °C
Melting Point	190-192 °C
Purity	98%
Density	1.14±0.1 g/ml
pKa	4.25±0.19
Appearance	Solid