Olean-12-en-29-oicacid, 3-[(3-carboxy-1-oxo-2-propenyl)oxy]-, sodium salt, [3b(Z),20b]- (9CI) (85559-57-5)

Identification
Name:	Olean-12-en-29-oicacid, 3-[(3-carboxy-1-oxo-2-propenyl)oxy]-, sodium salt, [3b(Z),20b]- (9CI)
Synonyms:	11-Deoxoglycyrrhetinicacid hydrogen maleate sodium salt
CAS:	85559-57-5
Molecular Formula:	C34H50 O6 . x Na
Molecular Weight:	598.7209
InChI:	InChI=1/C34H50O6.2Na/c1-29(2)23-12-15-34(7)24(32(23,5)14-13-25(29)40-27(37)11-10-26(35)36)9-8-21-22-20-31(4,28(38)39)17-16-30(22,3)18-19-33(21,34)6;;/h8,10-11,22-25H,9,12-20H2,1-7H3,(H,35,36)(H,38,39);;/q;2*+1/p-2/b11-10+;;/t22-,23?,24?,25+,30-,31-,32+,33-,34-;;/m1../s1
Molecular Structure:
Properties
Flash Point:	198.1°C
Boiling Point:	649.2°C at 760 mmHg
Specification:	Descriptors Computed from Structure about 11-Deoxoglycyrrhetinic Acid Hydrogen Maleate Sodium Salt(CAS NO.85559-57-5) is: Canonical SMILES: CC1(C2CCC3(C(C2(CCC1OC(=O)C=CC(=O)[O-])C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+] Isomeric SMILES: C[C@]12CC[C@@](C[C@@H]1C3=CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+] InChI: InChI=1S/C34H50O6.2Na/c1-29(2)23-12-15-34(7)24(32(23,5)14-13-25(29)40-27(37)11-10-26(35)36)9-8-21-22-20-31(4,28(38)39)17-16-30(22,3)18-19-33(21,34)6;;/h8,10-11,22-25H,9,12-20H2,1-7H3,(H,35,36)(H,38,39);;/q;2*+1/p-2/b11-10+;;/t22-,23?,24?,25+,30-,31-,32+,33-,34-;;/m1../s1 InChIKey: ODDWAOOFXJGRAU-PBTFXEGJSA-L
Flash Point:	198.1°C
Safety Data