10R-hydroxy-3‚-O-[2,6-di(p-hydroxyphenylacetyl)-‚-glucopylanosyl]guaia-4(15),11(13)-dieno-12,6R-lactone

10R-hydroxy-3‚-O-[2,6-di(p-hydroxyphenylacetyl)-‚-glucopylanosyl]guaia-4(15),11(13)-dieno-12,6R-lactone

Common Name: 10R-hydroxy-3‚-O-[2,6-di(p-hydroxyphenylacetyl)-‚-glucopylanosyl]guaia-4(15),11(13)-dieno-12,6R-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C37H42O13/c1-18-24-12-13-37(3,45)25-16-26(19(2)30(25)33(24)50-35(18)44)47-36-34(49-29(41)15-21-6-10-23(39)11-7-21)32(43)31(42)27(48-36)17-46-28(40)14-20-4-8-22(38)9-5-20/h4-11,24-27,30-34,36,38-39,42-43,45H,1-2,12-17H2,3H3/t24-,25+,26-,27+,30-,31+,32-,33-,34+,36+,37+/m0/s1

InChIKey: InChIKey=GDSPNUSHQQYFSK-MCOQXLJUSA-N

Formula: C37H42O13

Molecular Weight: 694.723004

Exact Mass: 694.262541

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhang, S., Zhao, M., Bai, L., Hasegawa, T., Wang, J., Wang, L., Xue, H., Deng, Q., Xing, F., Bai, Y., Sakai, J., Bai, J., Koyanagi, R., Tsukumo, Y., Kataoka, T., Nagai, K., Hirose, K., Ando, M. J Nat Prod (2006) 69, 1425-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) 50.5
2 (CH2) 35.3
3 (CH) 79.4
4 (C) 150.2
5 (CH) 51
6 (CH) 81.9
7 (CH) 44.5
8 (CH2) 25
9 (CH2) 34.8
10 (C) 73.3
11 (C) 142.8
12 (C) 170.3
13 (CH2) 118.6
14 (CH3) 30.5
15 (CH2) 113.2
1' (CH) 100
2' (CH) 75.3
3' (CH) 75.9
4' (CH) 71.8
5' (CH) 75.1
6' (CH2) 64.7
1'' (C) 172.1
2'' (CH2) 40.5
3'' (C) 125.2
4'' (CH) 131
5'' (CH) 116.2
6'' (C) 157.9
7'' (CH) 116.2
8'' (CH) 131
1''' (C) 171.5
2''' (CH2) 40.6
3''' (C) 125.2
4''' (CH) 131.3
5''' (CH) 116.3
6''' (C) 158
7''' (CH) 116.3
8''' (CH) 131.3