Analyte Name

13-O-Methyl-amphoteronolide B 2-Propen-1-yl Ester

CAS Number

960315-94-0

Molecular Formula

C45 H68 O14

Molecular Weight

833.013

Accurate Mass

832.461

SMILES

CO[C@]12C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](O)C[C@H](O1)[C@@H]([C@@H](O)C2)C(=O)OCC=C

InChI

InChI=1S/C45H68O14/c1-6-23-57-44(55)42-39(52)29-45(56-5)28-36(49)25-38(51)37(50)22-21-34(47)24-35(48)27-41(53)58-32(4)31(3)43(54)30(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-33(46)26-40(42)59-45/h6-20,30-40,42-43,46-52,54H,1,21-29H2,2-5H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t30-,31-,32-,33-,34+,35+,36-,37+,38+,39-,40-,42+,43+,45+/m0/s1

IUPAC

prop-2-enyl (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-3,5,6,9,11,17,33,37-octahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat