(25S)-Spirost-5-en-3b-yl O-b-D-glucopyranosyl-(1-->4)-a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside

(25S)-Spirost-5-en-3b-yl O-b-D-glucopyranosyl-(1-->4)-a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside

Common Name: (25S)-Spirost-5-en-3b-yl O-b-D-glucopyranosyl-(1-->4)-a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-37(54)39(32(49)29(17-47)59-42)61-40-36(53)34(51)38(21(3)56-40)60-41-35(52)33(50)31(48)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43-,44-,45+/m0/s1

InChIKey: InChIKey=JRSYFSURFOUZDO-REOADKOYSA-N

Formula: C45H72O17

Molecular Weight: 885.044733

Exact Mass: 884.476951

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yokosuka A., Mimaki Y., Sashida Y. Phytochemistry (2002) 61, 73-8

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) 37.4
2 (CH2) 30.1
3 (CH) 78.1
4 (CH2) 39.1
5 (C) 140.8
6 (CH) 121.8
7 (CH2) 32.2
8 (CH) 31.6
9 (CH) 50.2
10 (C) 37
11 (CH2) 21.1
12 (CH2) 39.8
13 (C) 40.4
14 (CH) 56.6
15 (CH2) 32.1
16 (CH) 81.1
17 (CH) 62.7
18 (CH3) 16.3
19 (CH3) 19.3
20 (CH) 42.4
21 (CH3) 14.8
22 (C) 109.7
23 (CH2) 26.4
24 (CH2) 26.2
25 (CH) 27.5
26 (CH2) 65.1
27 (CH3) 16.3
1' (CH) 102.2
2' (CH) 75.9
3' (CH) 82.4
4' (CH) 69.5
5' (CH) 78.3
6' (CH2) 62.4
1''' (CH) 102.1
2''' (CH) 72.6
3''' (CH) 72
4''' (CH) 85.7
5''' (CH) 68
6''' (CH3) 18.6
1'''' (CH) 106.8
2'''' (CH) 76.6
3'''' (CH) 78.7
4'''' (CH) 71.3
5'''' (CH) 78.5
6'''' (CH2) 62.5