Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O5S/c1-18-15-30-16-21(18)8-11-23(30)28(3)13-12-26(35-27(33)20-6-9-22(36-5)10-7-20)29(4,17-34-19(2)31)24(28)14-25(30)32/h6-7,9-10,21,23-26,32H,1,8,11-17H2,2-5H3/t21-,23+,24+,25+,26-,28+,29-,30+/m1/s1
InChIKey: InChIKey=YAMZOVCLGIHSSW-AYPJXNHOSA-N
Formula: C30H40O5S1
Molecular Weight: 512.702816
Exact Mass: 512.259645
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Rosselli, S., Pibiri, I., Kilgore, N., Lee, K.H. J Nat Prod (2002) 65, 1594-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 38.5 |
2 (CH2) | 23.2 |
3 (CH) | 75.1 |
4 (C) | 40.9 |
5 (CH) | 38.2 |
6 (CH2) | 27.1 |
7 (CH) | 76.7 |
8 (C) | 48 |
9 (CH) | 50.1 |
10 (C) | 38.7 |
11 (CH2) | 17.9 |
12 (CH2) | 33.5 |
13 (CH) | 43.6 |
14 (CH2) | 37.8 |
15 (CH2) | 45 |
16 (C) | 154.8 |
17 (CH2) | 103.7 |
18 (CH2) | 65 |
19 (CH3) | 13.3 |
20 (CH3) | 17.9 |
3a (C) | 165.6 |
3b (C) | 126.8 |
3c (CH) | 129.8 |
3d (CH) | 125.1 |
3e (C) | 145.4 |
3f (CH) | 125.1 |
3g (CH) | 129.8 |
3ea (CH3) | 14.9 |
18a (C) | 171.5 |
18b (CH3) | 21.1 |