Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C39H62O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(25-13-21(40)8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-33(45)34(30(42)20(4)48-36)50-35-32(44)31(43)29(41)19(3)47-35/h17-20,22-36,41-45H,7-16H2,1-6H3/t17-,18-,19+,20+,22+,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37+,38-,39+/m0/s1

InChIKey: InChIKey=KGKPTIMFGJTAMD-SHGBPYPHSA-N

Formula: C39H62O12

Molecular Weight: 722.903886

Exact Mass: 722.424127

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Arthan, D., Svasti, J., Kittakoop, P., Pittayakhachonwut, D., Tanticharoen, M., Thebtaranonth, Y. Phytochemistry (2002) 59, 459-63

Species:

Notes: Family : Steroids, Type : Spirostanes; 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) 38.7
2 (CH2) 38.1
3 (C) 210.7
4 (CH2) 39.9
5 (CH) 52.4
6 (CH) 80
7 (CH2) 41
8 (CH) 34
9 (CH) 53.2
10 (C) 36.7
11 (CH2) 21.3
12 (CH2) 39.9
13 (C) 40.7
14 (CH) 56.1
15 (CH2) 32.1
16 (CH) 81.1
17 (CH) 62.7
18 (CH3) 12.6
19 (CH3) 16.3
20 (CH) 42.5
21 (CH3) 14.9
22 (C) 109.7
23 (CH2) 26.4
24 (CH2) 26.2
25 (CH) 27.5
26 (CH2) 65.1
27 (CH3) 16.6
1'' (CH) 105.6
2'' (CH) 75.9
3'' (CH) 83.7
4'' (CH) 75.2
5'' (CH) 72.7
6'' (CH3) 18.8
1''' (CH) 103.3
2''' (CH) 72.5
3''' (CH) 72.8
4''' (CH) 74.1
5''' (CH) 70
6''' (CH3) 18.7