22-Hydroxy-3-Oxo-12-Ursen-30-Oic Acid

CAS	173991-81-6
Structure
Synonyms	Regelinacid/22-Hydroxy-3-oxo-12-ursen-30-oicacid
IUPAC Name	(1R,2R,4aR,6aR,6aS,6bR,12aR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Molecular Weight	471
Molecular Formula	C30H46O4
Canonical SMILES	C[C@H]1[C@@H](CC([C@]2([C@@H]1C3=CC[C@@H]4[C@]5(CCC(=O)C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C)O)C(=O)O
InChI	InChI=1S/C30H46O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21+,23?,24-,27-,28-,29+,30+/m0/s1
InChI Key	QGMNTKNSMLYTKS-BAKMLKDBSA-N
Purity	98%
Appearance	Solid