Analyte Name

cis-3-Methyl-4-(phenylamino)-1-(phenylmethyl)-4-piperidinecarboxylic Acid Methyl Ester

CAS Number

147292-29-3

Molecular Formula

C43 H66 O15

Molecular Weight

822.975

Accurate Mass

822.44

SMILES

CC1OC(CC(O)C1OC2CC(O)C(OC3CC(O)C(OC(=O)C)C(C)O3)C(C)O2)O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4

InChI

InChI=1S/C43H66O15/c1-20-38(55-23(4)44)30(45)17-36(53-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)52-35(16-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(48)42(6)27(10-12-43(28,42)50)24-13-34(49)51-19-24/h13,20-22,25-33,35-40,45-48,50H,7-12,14-19H2,1-6H3/t20?,21?,22?,25-,26+,27-,28-,29+,30?,31?,32?,33-,35?,36?,37?,38?,39?,40?,41+,42+,43+/m1/s1

IUPAC

[6-[6-[6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat