Catalog Number
ACM16830152
IUPAC Name
[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aS,6bR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Synonyms
2-alpha,3-beta,23-trihydroxy-urs-12-en-28-oicacio-6-deoxy-alpha-l-mannopy
Molecular Formula
C48H78O19
Canonical SMILES
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O
InChI
InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22?,24-,25?,26?,27?,28?,29+,30?,31?,32?,33?,34?,35?,36?,37?,38?,39-,40?,41?,42?,44+,45+,46-,47-,48+/m1/s1
InChI Key
WYQVAPGDARQUBT-NNUNPJGWSA-N
Solubility
water, 1.132 mg/L @ 25 °C (est)
Typical Applications
Use as antioxidant.
Use as anti-inflammatory agent.