1-O-[(5ξ,8α,9β,10α,13α)-17-(β-D-Glucopyranosyloxy)-18-oxokauran-18-yl]-β-D-glucopyranose

1-O-[(5ξ,8α,9β,10α,13α)-17-(β-D-Glucopyranosyloxy)-18-oxokauran-18-yl]-β-D-glucopyranose

Common Name: 1-O-[(5ξ,8α,9β,10α,13α)-17-(β-D-Glucopyranosyloxy)-18-oxokauran-18-yl]-β-D-glucopyranose

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H52O13/c1-30-7-3-8-31(2,29(41)45-28-26(40)24(38)22(36)18(13-34)44-28)19(30)6-9-32-10-15(4-5-20(30)32)16(11-32)14-42-27-25(39)23(37)21(35)17(12-33)43-27/h15-28,33-40H,3-14H2,1-2H3/t15?,16-,17+,18+,19-,20-,21+,22+,23-,24-,25+,26+,27+,28-,30+,31+,32-/m0/s1

InChIKey: InChIKey=JBJCSGDZBMQGTQ-NOIIUFBRSA-N

Formula: C32H52O13

Molecular Weight: 644.748732

Exact Mass: 644.340792

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) 40.9
2 (CH2) 19.5
3 (CH2) 38.4
4 (C) 44.9
5 (CH) 57.4
6 (CH2) 22.7
7 (CH2) 41.9
8 (C) 44
9 (CH) 55.4
10 (C) 39.9
11 (CH2) 19.1
12 (CH2) 31.3
13 (CH) 38.5
14 (CH2) 37
15 (CH2) 45.4
16 (CH) 41
17 (CH2) 74.6
18 (CH3) 28.6
19 (C) 176.9
20 (CH3) 15.8
1' (CH) 105
2' (CH) 75.1
3' (CH) 78.6
4' (CH) 71.7
5' (CH) 78.5
6' (CH2) 62.8
1'' (CH) 95.7
2'' (CH) 74.1
3'' (CH) 79.3
4'' (CH) 71
5'' (CH) 79.1
6'' (CH2) 62.1