ALD-3-CMO

Analyte Name

ALD-3-CMO

Molecular Formula

C23H31NO7

Molecular Weight

433.5

Accurate Mass

433.21

SMILES

O=C(CO)C1CCC2C3CCC4=C/C(CC[C@]4(C)C3[C@@H]5C[C@@]21[C@@H](O)O5)=N/OCC(O)=O

InChI

InChI=1S/C23H31NO7/c1-22-7-6-13(24-30-11-19(27)28)8-12(22)2-3-14-15-4-5-16(17(26)10-25)23(15)9-18(20(14)22)31-21(23)29/h8,14-16,18,20-21,25,29H,2-7,9-11H2,1H3,(H,27,28)/b24-13+/t14?,15?,16?,18-,20?,21-,22-,23+/m0/s1

IUPAC

2-((((1S,3S,3aR,12aR,E)-3-hydroxy-4-(2-hydroxyacetyl)-12a-methyl-5,6,6a,6b,7,8,11,12,12a,12b-decahydro-1H,3H-1,3a-methanocyclopenta[c]naphtho[2,1-e]oxepin-10(4H)-ylidene)amino)oxy)acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat