(24S, 25R)-24-Hydroxyspirost-5-en-3b-yl O-a-L-rhamnopyranosyl-(1-->2)-O-[a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside

(24S, 25R)-24-Hydroxyspirost-5-en-3b-yl O-a-L-rhamnopyranosyl-(1-->2)-O-[a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside

Common Name: (24S, 25R)-24-Hydroxyspirost-5-en-3b-yl O-a-L-rhamnopyranosyl-(1-->2)-O-[a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C45H72O17/c1-18-17-55-45(15-27(18)47)19(2)30-28(62-45)14-26-24-8-7-22-13-23(9-11-43(22,5)25(24)10-12-44(26,30)6)58-42-39(61-41-37(54)35(52)32(49)21(4)57-41)38(33(50)29(16-46)59-42)60-40-36(53)34(51)31(48)20(3)56-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19+,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-/m1/s1

InChIKey: InChIKey=FYCJCVBJGPSOAX-QWCJOSAUSA-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) 37.5
2 (CH2) 30
3 (CH) 77.8
4 (CH2) 38.7
5 (C) 140.7
6 (CH) 121.8
7 (CH2) 32.3
8 (CH) 31.7
9 (CH) 50.2
10 (C) 37.1
11 (CH2) 21.1
12 (CH2) 39.8
13 (C) 40.4
14 (CH) 56.6
15 (CH2) 32.1
16 (CH) 81.5
17 (CH) 62.4
18 (CH3) 16.3
19 (CH3) 19.4
20 (CH) 42.5
21 (CH3) 14.8
22 (C) 111.4
23 (CH2) 36
24 (CH) 66.5
25 (CH) 35.9
26 (CH2) 64.5
27 (CH3) 9.7
1' (CH) 99.9
2' (CH) 78.3
3' (CH) 87.4
4' (CH) 69.9
5' (CH) 78.1
6' (CH2) 62.3
1'' (CH) 102.6
2'' (CH) 72.5
3'' (CH) 72.8
4'' (CH) 73.8
5'' (CH) 69.9
6'' (CH3) 18.7
1''' (CH) 103.9
2''' (CH) 72.6
3''' (CH) 72.5
4''' (CH) 73.6
5''' (CH) 70.6
6''' (CH3) 18.4