Common Name: Briarlide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O13/c1-9-10-11-12-22(36)44-24-16(2)15-21-32(31(8,45-32)28(38)43-21)27(42-19(5)35)25-29(6,26(23(24)37)41-18(4)34)14-13-20(30(25,7)39)40-17(3)33/h13-15,20-21,23-27,37,39H,9-12H2,1-8H3/b16-15-/t20-,21+,23+,24+,25-,26+,27+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=SRFQLYARLWUPDM-GAOBVPFCSA-N
Formula: C32H44O13
Molecular Weight: 636.685206
Exact Mass: 636.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Nishitani, N., Kurosaki, S., Okamura, H., Nakatani, M., Doe, M., Takemura, K. J Nat Prod (2003) 66, 1412-5
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) | 47.2 |
2 (CH) | 76.5 |
3 (CH) | 71.3 |
4 (CH) | 76.6 |
5 (C) | 141.5 |
6 (CH) | 124.1 |
7 (CH) | 73.5 |
8 (C) | 71.3 |
9 (CH) | 65 |
10 (CH) | 44.4 |
11 (C) | 72.4 |
12 (CH) | 73 |
13 (CH) | 122.9 |
14 (CH) | 139.6 |
15 (CH3) | 15.5 |
16 (CH3) | 25.4 |
17 (C) | 64.8 |
18 (CH3) | 9.6 |
19 (C) | 170.2 |
20 (CH3) | 21.3 |
2a (C) | 168.4 |
2b (CH3) | 20.8 |
4a (C) | 173.4 |
4b (CH2) | 34.2 |
4c (CH2) | 31.2 |
4d (CH2) | 24.5 |
4e (CH2) | 22.3 |
4f (CH3) | 13.9 |
9a (C) | 169.4 |
9b (CH3) | 20.8 |
12a (C) | 169.7 |
12b (CH3) | 21.4 |