14β-O-(2S,3S-nilyl)-2α,3β,5β,6β,16R-pentahydroxygrayanane-10(20)-ene

14β-O-(2S,3S-nilyl)-2α,3β,5β,6β,16R-pentahydroxygrayanane-10(20)-ene

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)

Carbon NMR Peaks

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