Common Name: 14β-O-(2S,3S-nilyl)-2α,3β,5β,6β,16R-pentahydroxygrayanane-10(20)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O8/c1-11(13(3)26)21(30)33-20-15-8-7-14-12(2)17-18(28)19(29)22(4,5)25(17,32)16(27)9-24(14,20)10-23(15,6)31/h11,13-20,26-29,31-32H,2,7-10H2,1,3-6H3/t11-,13-,14-,15+,16+,17+,18+,19+,20+,23+,24-,25+/m0/s1
InChIKey: InChIKey=WZAGICLCYMETRE-MSYPDZPISA-N
Formula: C25H40O8
Molecular Weight: 468.581267
Exact Mass: 468.272318
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, X.Z., Wang, Y.H., Yu, S.S., Fu, G.M., Hu, Y.C., Liu, Y., Fan, L.H. J Nat Prod (2005) 68, 1646-50
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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)
Position | PPM |
---|---|
1 (CH) | 51.8 |
2 (CH) | 82 |
3 (CH) | 88.2 |
4 (C) | 47.9 |
5 (C) | 82.5 |
6 (CH) | 70.9 |
7 (CH2) | 40.4 |
8 (C) | 48 |
9 (CH) | 52 |
10 (C) | 149 |
11 (CH2) | 23.4 |
12 (CH2) | 24.1 |
13 (CH) | 55.8 |
14 (CH) | 82.9 |
15 (CH2) | 62.9 |
16 (C) | 79.1 |
17 (CH3) | 27.5 |
18 (CH3) | 26.7 |
19 (CH3) | 20.2 |
20 (CH2) | 113.5 |
14a (C) | 174.7 |
14b (CH) | 51 |
14c (CH) | 69.1 |
14d (CH3) | 21.1 |
14ba (CH3) | 15.2 |