Myrianthic acid

(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Also Known As: Myrianthic acid|Myrianthicacid|HY-N3228|TN4600|4CN-3173|J1.358.980A|2,3,19,23-tetrahydroxyurs-12-en-28-oic acid|2|A,3|A,19,24-Tetrahydroxyurs-12-en-28-oic acid|2alpha,3alpha,19,23-Tetrahydroxyurs-12-en-28-oic acid|2alpha,3alpha,19,23-Tetrahydroxyurs-12-ene-28-oic acid|2alpha,3alpha,19,24-Tetrahydroxyurs-12-en-28-oic acid|2alpha,3alpha,19alpha,23-tetrahydroxyurs-12en-28oic acid|2alpha,3alpha,19alpha,23-Tetrahydroxyurs-12-ene-28-oic acid|Urs-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2alpha,3alpha,4alpha)-|(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(1r,2r,4As,6as,6as,6br,8ar,9r,10s,11r,12ar,14br)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(1R,2R,4aS,6aS,6bR,8aR,9R,10S,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Molecular Formula	C30H48O6
Molecular Weight	504.3451 g/mol
LogP	4.3
Topological Polar Surface Area	118.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	504.3451
Monoisotopic Mass	504.3451
Heavy Atoms	36
Complexity	978.0

Chemical Identifiers

CAS Number	65669-84-3
SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChIKey	YCOKATFNRPZIIU-MGBZEVKYSA-N