(5ξ,8α,9β,10α,13α)-17-(β-D-Glucopyranosyloxy)kauran-18-oic acid

(5ξ,8α,9β,10α,13α)-17-(β-D-Glucopyranosyloxy)kauran-18-oic acid

Common Name: (5ξ,8α,9β,10α,13α)-17-(β-D-Glucopyranosyloxy)kauran-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H42O8/c1-24-7-3-8-25(2,23(31)32)17(24)6-9-26-10-14(4-5-18(24)26)15(11-26)13-33-22-21(30)20(29)19(28)16(12-27)34-22/h14-22,27-30H,3-13H2,1-2H3,(H,31,32)/t14-,15+,16-,17+,18+,19-,20+,21-,22-,24-,25-,26+/m1/s1

InChIKey: InChIKey=PFTDKSUNRMVCKI-BVQQALSRSA-N

Formula: C26H42O8

Molecular Weight: 482.607884

Exact Mass: 482.287968

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Shao, Y., Bai, N.S., Zhou, B.N. Phytochemistry (1996) 42, 783-6

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 41.2
2 (CH2) 20
3 (CH2) 38.9
4 (C) 45.1
5 (CH) 57.3
6 (CH2) 23.3
7 (CH2) 42.1
8 (C) 44
9 (CH) 55.8
10 (C) 40.1
11 (CH2) 19.2
12 (CH2) 31.7
13 (CH) 38.9
14 (CH2) 37.5
15 (CH2) 46
16 (CH) 41.3
17 (CH2) 74.8
18 (CH3) 29.5
19 (C) 180.1
20 (CH3) 16.1
1' (CH) 105
2' (CH) 75.3
3' (CH) 78.7
4' (CH) 72
5' (CH) 78.4
6' (CH2) 63.1