Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O12/c1-8-9-10-11-12-13-22(36)43-24-23(37)17(2)16-21-32(31(7,44-32)28(38)42-21)27(41-19(4)34)25-29(5,26(24)40-18(3)33)15-14-20(35)30(25,6)39/h14-16,20-21,23-27,35,37,39H,8-13H2,1-7H3/b17-16-/t20-,21+,23+,24-,25-,26+,27+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=YEKLXMOELYFHLJ-DJXVBKNKSA-N
Formula: C32H46O12
Molecular Weight: 622.701683
Exact Mass: 622.298927
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Babazono, K., Nakatani, M., Doe, M., Morimoto, Y., Takemura, K. Heterocycles (2005) 65, 607-17
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 46.9 |
2 (CH) | 77.6 |
3 (CH) | 73.7 |
4 (CH) | 75.5 |
5 (C) | 142.9 |
6 (CH) | 124.3 |
7 (CH) | 73.3 |
8 (C) | 71.5 |
9 (CH) | 65.5 |
10 (CH) | 43.1 |
11 (C) | 74 |
12 (CH) | 70.2 |
13 (CH) | 125.2 |
14 (CH) | 138.6 |
15 (CH3) | 15.6 |
16 (CH3) | 25.8 |
17 (C) | 64.7 |
18 (CH3) | 9.9 |
19 (C) | 170.5 |
20 (CH3) | 21.3 |
2a (C) | 169.7 |
2b (CH3) | 20.7 |
3a (C) | 173.3 |
3b (CH2) | 34.5 |
3c (CH2) | 31.7 |
3d (CH2) | 25 |
3e (CH2) | 29.1 |
3f (CH2) | 28.9 |
3g (CH2) | 22.6 |
3h (CH3) | 14.1 |
9a (C) | 170.1 |
9b (CH3) | 21.3 |