Analyte Name

(2E)-3-[1-[(1alpha,3beta,5Z,7E,22E,24R)-1,3,24-Trihydroxy-9,10-secochola-5,7,10(19),22-tetraen-24-yl]cyclopropyl]-2-propenoic Acid Ethyl Ester

CAS Number

186371-96-0

Molecular Formula

C32 H46 O5

Molecular Weight

510.70

Accurate Mass

510.3345

SMILES

CCOC(=O)\C=C\C1(CC1)[C@H](O)\C=C\[C@@H](C)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C

InChI

InChI=1S/C32H46O5/c1-5-37-30(36)14-16-32(17-18-32)29(35)13-8-21(2)26-11-12-27-23(7-6-15-31(26,27)4)9-10-24-19-25(33)20-28(34)22(24)3/h8-10,13-14,16,21,25-29,33-35H,3,5-7,11-12,15,17-20H2,1-2,4H3/b13-8+,16-14+,23-9+,24-10-/t21-,25-,26-,27+,28+,29-,31-/m1/s1

IUPAC

ethyl (E)-3-[1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxy-pent-2-enyl]cyclopropyl]prop-2-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat