2α,3β,5β,6β,14β,16R-pentahydroxygrayanane

2α,3β,5β,6β,14β,16R-pentahydroxygrayanane

Common Name: 2α,3β,5β,6β,14β,16R-pentahydroxygrayanane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O7/c1-16(2)15(24)12(22)13-18(4,26)10-6-5-9-14(23)19(10,8-17(9,3)25)7-11(21)20(13,16)27/h9-15,21-27H,5-8H2,1-4H3/t9-,10+,11-,12-,13+,14-,15-,17-,18-,19+,20-/m1/s1

InChIKey: InChIKey=OIRQCTPPDJLTNN-GFIQQORGSA-N

Formula: C20H34O7

Molecular Weight: 386.480538

Exact Mass: 386.230453

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) 58
2 (CH) 80.8
3 (CH) 86.9
4 (C) 49.2
5 (C) 83.4
6 (CH) 72.7
7 (CH2) 44.9
8 (C) 52.3
9 (CH) 56.2
10 (C) 78.2
11 (CH2) 21.9
12 (CH2) 27.1
13 (CH) 54.9
14 (CH) 80.1
15 (CH2) 60.8
16 (C) 79.8
17 (CH3) 24
18 (CH3) 26.2
19 (CH3) 20.4
20 (CH3) 29.5