Steviol-13CD2

CAS: 471-80-7

Ref. TR-S686722

Product Information

• Name: Steviol-13CD2
• Synonyms: (4a)-13-Hydroxy-kaur-16-en-18-oic Acid-13CD2, 13-Hydroxy-kaur-16-en-18-oic Acid-13CD2, 13-Hydroxykaurenoic Acid-13CD2, Ent-13-hydroxy-kauran-16-en-19-oic Acid-13CD2, NSC 226902-13CD2, (14-alpha)-13-Hydroxykaur-16-en-18-oic acid, (4α)-13-Hydroxykaur-16-en-18-oic acid, (5Beta,8Alpha,9Beta,10Alpha,13Alpha)-13-Hydroxykaur-16-En-18-Oic Acid, (5Xi,8Alpha,9Xi,10Alpha,13Alpha)-13-Hydroxykaur-16-En-18-Oic Acid, (5Xi,9Xi)-13-Hydroxykaur-16-En-18-Oic Acid, 13-Hydroxykaur-16-En-18-Oic Acid, 13-Hydroxykaurenoic acid, 13-O-Glucosylsteviol, Ccris 2588, Ent-13-hydroxykauran-16-en-19-oic acid, Hydroxydehydrostevic acid, Kaur-16-en-18-oic acid, 13-hydroxy-, Kaur-16-en-18-oic acid, 13-hydroxy-, (14-alpha)- (9CI), Kaur-16-en-18-oic acid, 13-hydroxy-, (4alpha)- (9CI), Kaur-16-en-18-oic acid, 13-hydroxy-, (4α)-, Nsc 226902

Description

Applications Steviol-13CD2 is the isotope labelled analog of Steviol (S686720) which is an aglycone of the natural sweetener Stevioside (90%, S686730) and is found to be highly mutagenic compared to Stevioside.
References Toskulkac, C., et al.: Drug Chem. Toxicol., 20, 31 (1997); Pezzuto, J.M., et al.: P. Natl. Acad. Sci. USA, 82, 2478 (1985); Matsui, M., et al.: Mutagenesis, 11, 573 (1996); Koyama, E., et al.: Food Chem. Toxicol., 41, 875 (2003)

• Brand: TRC

Chemical properties

• Molecular weight: 321.46
• Formula: C₁₉CH₂₈D₂O₃
• Color/Form: Neat
• InChI: InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17?,18?,19+,20-/m0/s1/i1+1D2
• InChI key: InChIKey=QFVOYBUQQBFCRH-KOOXBQDQSA-N
• SMILES: [2H][13C]([2H])=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3