Spektraris NMR
(24S,25R)-24-Hydroxyspirost-5-en-3b-yl O-a-L-rhamnopyranosyl-(1-->2)-O-[O-b-D-glucopyranosyl-(1-->4)-a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside
![(24S,25R)-24-Hydroxyspirost-5-en-3b-yl O-a-L-rhamnopyranosyl-(1-->2)-O-[O-b-D-glucopyranosyl-(1-->4)-a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside](/nmr/static/nmr/svg/8070.svg)
Common Name: (24S,25R)-24-Hydroxyspirost-5-en-3b-yl O-a-L-rhamnopyranosyl-(1-->2)-O-[O-b-D-glucopyranosyl-(1-->4)-a-L-rhamnopyranosyl-(1-->3)]-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C51H82O22/c1-19-18-64-51(15-28(19)54)20(2)32-29(73-51)14-27-25-8-7-23-13-24(9-11-49(23,5)26(25)10-12-50(27,32)6)67-48-44(72-45-39(61)36(58)33(55)21(3)65-45)43(35(57)31(17-53)69-48)71-46-41(63)38(60)42(22(4)66-46)70-47-40(62)37(59)34(56)30(16-52)68-47/h7,19-22,24-48,52-63H,8-18H2,1-6H3/t19-,20+,21+,22+,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=OCKBRECFENYRAW-IUSBFZKJSA-N
Formula: C51H82O22
Molecular Weight: 1047.185581
Exact Mass: 1046.529774
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 |
| 3 (CH) | 77.8 |
| 4 (CH2) | 38.6 |
| 5 (C) | 140.7 |
| 6 (CH) | 121.8 |
| 7 (CH2) | 32.2 |
| 8 (CH) | 31.6 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21 |
| 12 (CH2) | 39.8 |
| 13 (C) | 40.4 |
| 14 (CH) | 56.6 |
| 15 (CH2) | 32.1 |
| 16 (CH) | 81.5 |
| 17 (CH) | 62.3 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 19.3 |
| 20 (CH) | 42.5 |
| 21 (CH3) | 14.8 |
| 22 (C) | 111.4 |
| 23 (CH2) | 35.9 |
| 24 (CH) | 66.4 |
| 25 (CH) | 35.8 |
| 26 (CH2) | 64.5 |
| 27 (CH3) | 9.7 |
| 1' (CH) | 99.8 |
| 2' (CH) | 78.6 |
| 3' (CH) | 86.2 |
| 4' (CH) | 69.7 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.1 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 72.4 |
| 3'' (CH) | 72.7 |
| 4'' (CH) | 73.7 |
| 5'' (CH) | 69.9 |
| 6'' (CH3) | 18.6 |
| 1''' (CH) | 103.1 |
| 2''' (CH) | 72 |
| 3''' (CH) | 72.3 |
| 4''' (CH) | 84.3 |
| 5''' (CH) | 68.7 |
| 6''' (CH3) | 18.2 |
| 1'''' (CH) | 106.4 |
| 2'''' (CH) | 76.4 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 71.4 |
| 5'''' (CH) | 78.4 |
| 6'''' (CH2) | 62.5 |
