Name: HEDERIN, ALPHA-(P)
Brand: ChromaDex
SKU: CDX-00008075-005

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Product Overview

Product Code

CDX-00008075

CAS Number

27013-91-8

Product Format

Neat

Molecular Formula

C41 H66 O12

Molecular Weight

750.96

Product Categories

Saponins, ChromaDex

Documentation

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Product Information

Analyte Data

Analyte Name

alpha-Hederin

CAS Number

27013-91-8

Molecular Formula

C41 H66 O12

Molecular Weight

750.96

Accurate Mass

750.4554

Melting Point

265-268

Appearance/Form

Solid

Color

Off white

Odor

Odourless

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O)[C@]3(C)CO)[C@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1

IUPAC

(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Product Data

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Tariff Code

29389090

Product Format

Neat

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