Common Name: RumphiosideF
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O13/c1-26(13-8-17(39-24(13)35)27(2)12(23(34)36-3)5-4-6-16(26)27)9-14(11-7-18(29)40-22(11)33)37-25-21(32)20(31)19(30)15(10-28)38-25/h5,7,13-17,19-22,25,28,30-33H,4,6,8-10H2,1-3H3/t13-,14?,15+,16+,17-,19+,20-,21+,22?,25+,26-,27+/m0/s1
InChIKey: InChIKey=OXXLAQAXFVVCAB-UACUOQDVSA-N
Formula: C27H36O13
Molecular Weight: 568.568
Exact Mass: 568.215591
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Martin, T.S., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1995) 40, 1729-36
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 16.6 |
2 (CH2) | 24.2 |
3 (CH) | 142.7 |
4 (C) | 135 |
5 (C) | 39.5 |
6 (CH) | 82.9 |
7 (CH2) | 29.5 |
8 (CH) | 45.3 |
9 (C) | 39.9 |
10 (CH) | 47 |
11 (CH2) | 44 |
12 (CH) | 70.7 |
13 (C) | 171.7 |
14 (CH) | 118.8 |
15 (C) | 172 |
16 (CH) | 98.8 |
17 (C) | 178.2 |
18 (C) | 166.8 |
19 (CH3) | 27.2 |
20 (CH3) | 21.1 |
1' (CH) | 102.4 |
2' (CH) | 75.3 |
3' (CH) | 78.4 |
4' (CH) | 71.8 |
5' (CH) | 78.2 |
6' (CH2) | 62.8 |
18a (CH3) | 51.6 |