3β-Isodihydrocadambine

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For Research Use Only.

Category

Alkaloids

Cat.No.

NP0735

CAS

62014-69-1

Product Name

3β-Isodihydrocadambine

Structure

Product Details

Description

3β-Isodihydrocadambine is a natural product found in Neolamarckia cadamba.

Synonyms

Methyl 19-(hexopyranosyloxy)-21-(hydroxymethyl)-16,17-didehydro-18-oxayohimban-16-carboxylate

IUPAC Name

methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

Molecular Weight

546.57

Molecular Formula

C27H34N2O10

Canonical SMILES

COC(=O)C1=COC(C2C1CC3C4=C(CCN3C2CO)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O

InChI

InChI=1S/C27H34N2O10/c1-36-25(35)15-11-37-26(39-27-24(34)23(33)22(32)19(10-31)38-27)20-14(15)8-17-21-13(6-7-29(17)18(20)9-30)12-4-2-3-5-16(12)28-21/h2-5,11,14,17-20,22-24,26-28,30-34H,6-10H2,1H3/t14-,17-,18+,19-,20+,22-,23+,24-,26+,27+/m1/s1

InChIKey

FCECVXQMCZMWDG-QLIJHQAKSA-N

Purity

97%

Form

Powder

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