Analyte Name

(2S,3R)-2-((3S,10R,13S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptan-3-yl 4-Nitrobenzoate

Molecular Formula

C34 H49 N O5

Molecular Weight

551.757

Accurate Mass

551.361

SMILES

CC(C)CC[C@@H](OC(=O)c1ccc(cc1)[N+](=O)[O-])[C@@H](C)C2CCC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C

InChI

InChI=1S/C34H49NO5/c1-21(2)6-15-31(40-32(37)23-7-10-25(11-8-23)35(38)39)22(3)28-13-14-29-27-12-9-24-20-26(36)16-18-33(24,4)30(27)17-19-34(28,29)5/h7-11,21-22,26-31,36H,6,12-20H2,1-5H3/t22-,26-,27?,28?,29?,30?,31+,33-,34+/m0/s1

IUPAC

[(2S,3R)-2-[(3S,10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-yl] 4-nitrobenzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat