Scupontin C

Scupontin C

Common Name: Scupontin C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H48O12/c1-17-9-26(43-21(5)34)32(16-39-27(36)10-19(3)42-28(37)11-18(2)41-20(4)33)24(13-23(35)14-31(32)15-40-31)30(17,6)25-12-22-7-8-38-29(22)44-25/h17-19,22-26,29,35H,7-16H2,1-6H3/t17-,18-,19-,22-,23-,24-,25+,26+,29+,30+,31+,32+/m1/s1

InChIKey: InChIKey=LVCRNDTYLGTGKQ-MTDUQDFCSA-N

Formula: C32H48O12

Molecular Weight: 624.717564

Exact Mass: 624.314577

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B., delaTorre, M.C., Jimeno, M.L., Bruno, M., Vassallo, N., Bondi, M., Piozzi, F., Servettaz, O. J Nat Prod (1997) 60, 348-55

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) 31.9
2 (CH) 68.6
3 (CH2) 41.8
4 (C) 62.3
5 (C) 44.2
6 (CH) 71.9
7 (CH2) 33.4
8 (CH) 35.6
9 (C) 40.3
10 (CH) 44.1
11 (CH) 84.7
12 (CH2) 32.4
13 (CH) 42
14 (CH2) 32.5
15 (CH2) 68.2
16 (CH) 107.6
17 (CH3) 16.4
18 (CH2) 48.3
19 (CH2) 62.1
20 (CH3) 13.9
6a (C) 169.9
6b (CH3) 21
19a (C) 169.6
19b (CH2) 40.8
19c (CH) 67.7
19d (C) 170.3
19e (CH2) 40.8
19f (CH) 67.2
19g (C) 169.3
19h (CH3) 19.8
19i (CH3) 19.8
19j (CH3) 21