Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C50H66O17/c1-24(51)61-20-41(6)33(65-26(3)53)12-14-43-22-63-49(60,37(56)35(41)43)47-18-29(8-10-31(43)47)45(39(47)58)16-17-46(45)30-9-11-32-44-15-13-34(66-27(4)54)42(7,21-62-25(2)52)36(44)38(57)50(64-23-44,67-28(5)55)48(32,19-30)40(46)59/h29-38,56-57,60H,8-23H2,1-7H3/t29?,30?,31-,32-,33-,34-,35+,36+,37-,38-,41+,42+,43+,44+,45?,46?,47-,48-,49-,50+/m0/s1

InChIKey: InChIKey=DOZMQPAFSFFKKU-QTBKEBERSA-N

Formula: C50H66O17

Molecular Weight: 939.050768

Exact Mass: 938.430001

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Shen, X.Y., Isogai, A., Furihata, K., Sun, H.D., Suzuki, A. Phytochemistry (1994) 35, 725-9

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) 22.7
2 (CH2) 22.5
3 (CH) 72.6
4 (C) 41.5
5 (CH) 56.9
6 (CH) 67.3
7 (C) 101.7
8 (C) 61.9
9 (CH) 51
10 (C) 36
11 (CH2) 15.9
12 (CH2) 21.9
13 (CH) 33.6
14 (CH2) 26.7
15 (C) 226.9
16 (C) 65.3
17 (CH2) 24.9
18 (CH3) 21.4
19 (CH2) 66.3
20 (CH2) 66.5
1' (CH2) 22.7
2' (CH2) 22.5
3' (CH) 72.6
4' (C) 41.3
5' (C) 57.6
6' (CH) 73.3
7' (C) 96.4
8' (C) 61.8
9' (CH) 51
10' (C) 35.9
11' (CH2) 16.2
12' (CH2) 21.9
13' (CH) 33.1
14' (CH2) 27.1
15' (C) 227.7
16' (C) 65.3
17' (CH2) 24.9
18' (CH3) 21.4
19' (CH2) 66.9
20' (CH2) 66.9
3a (C) 170.7
3b (CH3) 20.9
7a (C) 170.2
7b (CH3) 20.4
19a (C) 168.1
19b (CH3) 20.5
3'a (C) 170.7
3'b (CH3) 20.9
19'a (C) 170.3
19'b (CH3) 20.4