Ajugasterone C

Analyte Name

Ajugasterone C

CAS Number

23044-80-6

Molecular Formula

C27H44O7

Molecular Weight

480.63

SMILES

CC(C)CC[C@@H](O)[C@@H](C)[C@@]1([H])CC[C@@]2(O)C3=CC([C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])C(O)(O)C[C@@]21C)=O

InChI

InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1

IUPAC

(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat