Common Name: Scutalpin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O10/c1-7-17(2)25(33)39-23-13-26(5,34)27(6,22(38-19(4)31)11-20-12-24(32)35-14-20)21-9-8-10-28(15-37-28)29(21,23)16-36-18(3)30/h7,12,21-23,34H,8-11,13-16H2,1-6H3/b17-7+/t21-,22+,23+,26+,27+,28+,29+/m1/s1
InChIKey: InChIKey=PKXNYUFSWTWHDD-GWGMAQJVSA-N
Formula: C29H40O10
Molecular Weight: 548.62302
Exact Mass: 548.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Delatorre, M.C., Rodriguez, B., Bruno, M., Piozzi, F., Savona, G., Vassallo, N., Servettaz, O. Phytochemistry (1995) 38, 181-7
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) | 23 |
2 (CH2) | 24.8 |
3 (CH2) | 32.8 |
4 (C) | 64.6 |
5 (C) | 45.3 |
6 (CH) | 68.5 |
7 (CH2) | 40.5 |
8 (C) | 76.5 |
9 (C) | 46.5 |
10 (CH) | 43.5 |
11 (CH) | 74.1 |
12 (CH2) | 33.1 |
13 (C) | 167.7 |
14 (CH) | 116.7 |
15 (C) | 173.8 |
16 (CH2) | 73.1 |
17 (CH3) | 26.8 |
18 (CH2) | 48.4 |
19 (CH2) | 61.5 |
20 (CH3) | 15.9 |
6a (C) | 175.7 |
6b (C) | 41.4 |
6c (CH) | 26.2 |
6d (CH3) | 11.6 |
6ba (CH3) | 16.3 |
11a (C) | 171 |
11b (CH3) | 21.1 |
19a (C) | 170.6 |
19b (CH3) | 20.7 |