(3β,9β)-23-Oxo-9,19-cyclolanostane-3,28-diyl bis(hydrogen sulfate)

(3β,9β)-23-Oxo-9,19-cyclolanostane-3,28-diyl bis(hydrogen sulfate)

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)

Carbon NMR Peaks

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