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)

Carbon NMR Peaks

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