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Simmondsin-2'0Ferulate (P)

Product Code

CDX-00019557-005

CAS Number

67411-22-7

Molecular Formula

C26 H33 N O12

Molecular Weight

551.54

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Pack Size:

5 mg

Stock expected

Estimated dispatch

Not currently in stock but good availability. Estimated dispatch in 5 -10 days.

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Documentation

Safety Data Sheet

SDS Document (UNITED KINGDOM)

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Product Information

CAS Number

67411-22-7

Molecular Formula

C26 H33 N O12

Molecular Weight

551.54

Accurate Mass

551.2003

Appearance/Form

Solid

Color

Off white

Odor

Odourless

Smiles

CO[C@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)\C=C/c3ccc(O)c(OC)c3)\C(=C/C#N)\[C@H](O)[C@H]1OC

InChI

InChI=1S/C26H33NO12/c1-34-17-10-13(4-6-15(17)29)5-7-20(30)39-25-23(33)22(32)19(12-28)38-26(25)37-16-11-18(35-2)24(36-3)21(31)14(16)8-9-27/h4-8,10,16,18-19,21-26,28-29,31-33H,11-12H2,1-3H3/b7-5-,14-8+/t16-,18+,19-,21+,22-,23+,24+,25-,26-/m1/s1

IUPAC

[(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylene)-3-hydroxy-4,5-dimethoxy-cyclohexoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (Z)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate

Country of Origin

UNITED STATES

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Product Format

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Matrix

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