Lucidenic acid N

CAS	364622-33-3
Structure
Synonyms	(3beta,5alpha,7beta)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oic acid
IUPAC Name	(4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Weight	460.6
Molecular Formula	C27H40O6
Canonical SMILES	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C
InChI	InChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,19+,25+,26-,27+/m1/s1
InChI Key	YBGBNHHXOJXFNM-UQCMLMITSA-N
Boiling Point	640.7±55.0 °C
Melting Point	202-204 °C
Purity	98%
Density	1.22±0.1 g/ml
pKa	4.72±0.10
Appearance	Powder