(25R)-5β-Spirostan-3β-ol 3-O-β-D-Glucopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-[alph

(25R)-5β-Spirostan-3β-ol 3-O-β-D-Glucopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-[alph

Common Name: (25R)-5β-Spirostan-3β-ol 3-O-β-D-Glucopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-[alph

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3/t20-,21+,22+,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42+,43-,44-,45-,46-,47+,48-,49+,50+,51-/m1/s1

InChIKey: InChIKey=DLUTTXMPJCVUFR-QGHRBOGPSA-N

Formula: C51H84O22

Molecular Weight: 1049.201462

Exact Mass: 1048.545424

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Sautour, M., Miyamoto, T., Lacaille-Dubois, M.A. Planta Med (2006) 72, 667-70

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) 30.3
2 (CH2) 26.5
3 (CH) 75
4 (CH2) 29.9
5 (CH) 35.9
6 (CH2) 26.5
7 (CH2) 26.3
8 (CH) 35.1
9 (CH) 39.8
10 (C) 34.8
11 (CH2) 20.7
12 (CH2) 39.9
13 (C) 40.5
14 (CH) 56
15 (CH2) 31.5
16 (CH) 81
17 (CH) 62.4
18 (CH3) 16.2
19 (CH3) 23.6
20 (CH) 41.6
21 (CH3) 14.6
22 (C) 109.3
23 (CH2) 31.6
24 (CH2) 28.7
25 (CH) 30
26 (CH2) 66.6
27 (CH3) 16.9
1' (CH) 100.4
2' (CH) 80
3' (CH) 76
4' (CH) 78.1
5' (CH) 74.7
6' (CH2) 67.8
1'' (CH) 103.9
2'' (CH) 74
3'' (CH) 77.2
4'' (CH) 70.8
5'' (CH) 77.6
6'' (CH2) 62.5
1''' (CH) 103.9
2''' (CH) 75.8
3''' (CH) 77.2
4''' (CH) 71.3
5''' (CH) 78
6''' (CH2) 61.9
1'''' (CH) 102
2'''' (CH) 71.6
3'''' (CH) 71.7
4'''' (CH) 73
5'''' (CH) 70
6'''' (CH3) 17.8