Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O8/c1-23-20-38-21-27(23)11-16-30(38)36(3)18-17-32(45-34(40)25-7-12-28(42-5)13-8-25)37(4,22-44-24(2)39)31(36)19-33(38)46-35(41)26-9-14-29(43-6)15-10-26/h7-10,12-15,27,30-33H,1,11,16-22H2,2-6H3/t27-,30+,31+,32-,33+,36+,37-,38+/m1/s1
InChIKey: InChIKey=HTUQFBZWTRGUKO-ALSGGLDTSA-N
Formula: C38H46O8
Molecular Weight: 630.768478
Exact Mass: 630.319268
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Rosselli, S., Pibiri, I., Piozzi, F., Bondi, M.L., Simmonds, M.S. Phytochemistry (2001) 58, 463-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 38 |
2 (CH2) | 23.1 |
3 (CH) | 74 |
4 (C) | 40.3 |
5 (CH) | 39.6 |
6 (CH2) | 24.1 |
7 (CH) | 79.4 |
8 (C) | 47.1 |
9 (CH) | 51.4 |
10 (C) | 38.6 |
11 (CH2) | 17.9 |
12 (CH2) | 33.2 |
13 (CH) | 43.4 |
14 (CH2) | 38 |
15 (CH2) | 45.3 |
16 (C) | 153.9 |
17 (CH2) | 103.9 |
18 (CH2) | 64.8 |
19 (CH3) | 13.3 |
20 (CH3) | 17.9 |
3a (C) | 165.5 |
3b (C) | 123.1 |
3c (CH) | 131.5 |
3d (CH) | 113.7 |
3e (C) | 163.3 |
3f (CH) | 113.7 |
3g (CH) | 131.5 |
3ea (CH3) | 55.4 |
7a (C) | 165.1 |
7b (C) | 122.8 |
7c (CH) | 131.4 |
7d (CH) | 113.5 |
7e (C) | 163.2 |
7f (CH) | 113.5 |
7g (CH) | 131.4 |
7ea (CH3) | 55.3 |
18a (C) | 170.7 |
18b (CH3) | 19.6 |