Common Name: (3β,9β)-23-Oxo-9,19-cyclolanostane-3,28-diyl bis(hydrogen sulfate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O9S2/c1-19(2)15-21(31)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-38-40(32,33)34)25(39-41(35,36)37)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h19-20,22-25H,7-18H2,1-6H3,(H,32,33,34)(H,35,36,37)/t20-,22-,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=PUDVSKBDQKPJFV-PAEBMLBLSA-N
Formula: C30H50O9S2
Molecular Weight: 618.845928
Exact Mass: 618.289625
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Clement, J.A., Zhou, B.N., Johnson, R.K., Kingston, D.G.I. Magn Reson Chem (2003) 41, 644-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.6 |
2 (CH2) | 28.3 |
3 (CH) | 81.2 |
4 (C) | 44.5 |
5 (CH) | 41.7 |
6 (CH2) | 21.5 |
7 (CH2) | 28.8 |
8 (CH) | 49.7 |
9 (C) | 21.1 |
10 (C) | 26.5 |
11 (CH2) | 27.4 |
12 (CH2) | 36.7 |
13 (C) | 46.6 |
14 (C) | 50.1 |
15 (CH2) | 36.7 |
16 (CH2) | 29.4 |
17 (CH) | 53.6 |
18 (CH3) | 18.7 |
19 (CH2) | 30.8 |
20 (CH) | 34.9 |
21 (CH3) | 19.7 |
22 (CH2) | 51.5 |
23 (C) | 214 |
24 (CH2) | 53.3 |
25 (CH) | 25.6 |
26 (CH3) | 22.9 |
27 (CH3) | 22.8 |
28 (CH3) | 19.8 |
29 (CH2) | 69.7 |
30 (CH3) | 11.7 |