Common Name: Scutalpin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O10/c1-7-17(2)24(33)38-23-22(37-19(4)31)26(6)25(5,11-12-27(39-26)13-21(32)35-14-27)20-9-8-10-28(15-36-28)29(20,23)16-34-18(3)30/h7,20,22-23H,8-16H2,1-6H3/b17-7+/t20-,22+,23+,25-,26+,27-,28+,29+/m1/s1
InChIKey: InChIKey=FDMQUGDKBVYERN-GNLXBOEXSA-N
Formula: C29H40O10
Molecular Weight: 548.62302
Exact Mass: 548.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bozov, P.I., Papanov, G.Y., Malakov, P.Y. Phytochemistry (1994) 35, 1285-8
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) | 20.7 |
2 (CH2) | 25 |
3 (CH2) | 32.1 |
4 (C) | 65.2 |
5 (C) | 45.6 |
6 (CH) | 69.2 |
7 (CH) | 73.9 |
8 (C) | 80.7 |
9 (C) | 37.7 |
10 (CH) | 41.7 |
11 (CH2) | 27.1 |
12 (CH2) | 29.3 |
13 (C) | 75.6 |
14 (CH2) | 42.6 |
15 (C) | 174.6 |
16 (CH2) | 79.6 |
17 (CH3) | 20 |
18 (CH2) | 48.7 |
19 (CH2) | 62.4 |
20 (CH3) | 19.8 |
6a (C) | 166.5 |
6b (C) | 128.4 |
6c (CH) | 137.4 |
6d (CH3) | 12 |
6ba (CH3) | 14.4 |
7a (C) | 170.8 |
7b (CH3) | 21 |
19a (C) | 170.8 |
19b (CH3) | 20.6 |