Scutalpin E

Scutalpin  E

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)

Carbon NMR Peaks

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