Ursolic Acid
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Product Description
Product
Ursolic Acid
CAS
77-52-1
Formula
C30H48O3
Synonym
Ursolic acid; Urson; ; (1S,2R,4AS,6AS,6BR,8AR,10S,12AR,12BR,14BS)-10-HYDROXY-1,2,6A,6B,9,9,12A-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID; (3beta)-3-Hydroxyurs-12-en-28-oic acid; (3beta)-urs-12-en-28-oicaci; 3BETA-HYDROXY-12-URSEN-28-IC ACID; 3BETA-HYDROXY-12-URSEN-28-OIC ACID; 3beta-hydroxyurs-12-en-28-oic acid; 3B-HYDROXYURS-12-EN-28-OIC ACID; 3-hydroxy-,(3.beta.)-Urs-12-en-28-oicacid; AI3-03109; CCRIS 7123; EINECS 201-034-0; HSDB 7685; Malol; NSC 167406; NSC 4060; Prunol; UNII-P3M2575F3F; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-
Typical Product Specifications
Molecular weight
456.70
EINECS
201-034-0
SMILES
C1[C@@]2([C@@H]3[C@@](CC[C@H]2C(C)([C@H](C1)O)C)([C@@]1(C(=CC3)[C@H]2[C@@](CC1)(CC[C@H]([C@@H]2C)C)C(O)=O)C)C)C
InChI
WCGUUGGRBIKTOS-GPOJBZKASA-N
InChIKey
1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
Atmospheric OH Rate Constant
1.27E-10 cm3/molecule-sec
log P (octanol-water)
7.920
Melting Point
284 ° C
Color
White to off-white
Alpha
59 º (c=0.3, pyridine)
Storage Temperature
2-8°C
Form
Crystalline Powder or Needles
Melting Point
292 °C (dec.)
Merck
9890
Water solubility
insoluble
Class
Industry
Functions
Intermediates , Enzyme , Acid
Ursolic Acid
Product Description
Product
Ursolic Acid
CAS
77-52-1
Formula
C30H48O3
Synonym
Ursolic acid; Urson; ; (1S,2R,4AS,6AS,6BR,8AR,10S,12AR,12BR,14BS)-10-HYDROXY-1,2,6A,6B,9,9,12A-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID; (3beta)-3-Hydroxyurs-12-en-28-oic acid; (3beta)-urs-12-en-28-oicaci; 3BETA-HYDROXY-12-URSEN-28-IC ACID; 3BETA-HYDROXY-12-URSEN-28-OIC ACID; 3beta-hydroxyurs-12-en-28-oic acid; 3B-HYDROXYURS-12-EN-28-OIC ACID; 3-hydroxy-,(3.beta.)-Urs-12-en-28-oicacid; AI3-03109; CCRIS 7123; EINECS 201-034-0; HSDB 7685; Malol; NSC 167406; NSC 4060; Prunol; UNII-P3M2575F3F; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-
Typical Product Specifications
Molecular weight
456.70
EINECS
201-034-0
SMILES
C1[C@@]2([C@@H]3[C@@](CC[C@H]2C(C)([C@H](C1)O)C)([C@@]1(C(=CC3)[C@H]2[C@@](CC1)(CC[C@H]([C@@H]2C)C)C(O)=O)C)C)C
InChI
WCGUUGGRBIKTOS-GPOJBZKASA-N
InChIKey
1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
Atmospheric OH Rate Constant
1.27E-10 cm3/molecule-sec
log P (octanol-water)
7.920
Melting Point
284 ° C
Color
White to off-white
Alpha
59 º (c=0.3, pyridine)
Storage Temperature
2-8°C
Form
Crystalline Powder or Needles
Melting Point
292 °C (dec.)
Merck
9890
Water solubility
insoluble
Class
Industry
Functions
Intermediates , Enzyme , Acid
