Analyte Name

2-Propen-1-yl Ester Amphoteronolide B

CAS Number

960315-96-2

Molecular Formula

C44 H66 O14

Molecular Weight

818.986

Accurate Mass

818.445

SMILES

C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)OCC=C

InChI

InChI=1S/C44H66O14/c1-5-22-56-43(54)41-38(51)28-44(55)27-35(48)24-37(50)36(49)21-20-33(46)23-34(47)26-40(52)57-31(4)30(3)42(53)29(2)18-16-14-12-10-8-6-7-9-11-13-15-17-19-32(45)25-39(41)58-44/h5-19,29-39,41-42,45-51,53,55H,1,20-28H2,2-4H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35-,36+,37+,38-,39-,41+,42+,44+/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)-1,3,5,6,9,11,17,33,37-nonahydroxy-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