Spektraris NMR
(2α,3β,25R)-2-Hydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside
![(2α,3β,25R)-2-Hydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside](/nmr/static/nmr/svg/11578.svg)
Common Name: (2α,3β,25R)-2-Hydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C51H82O21/c1-19-10-13-51(63-18-19)20(2)32-30(72-51)15-27-25-9-8-24-14-29(28(53)16-50(24,7)26(25)11-12-49(27,32)6)67-48-44(71-46-39(60)36(57)34(55)22(4)65-46)41(62)43(31(17-52)68-48)70-47-40(61)37(58)42(23(5)66-47)69-45-38(59)35(56)33(54)21(3)64-45/h8,19-23,25-48,52-62H,9-18H2,1-7H3/t19-,20+,21+,22+,23+,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=AVLMFKYDXZNPDW-RZOVAQDRSA-N
Formula: C51H82O21
Molecular Weight: 1031.186176
Exact Mass: 1030.53486
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mimaki, Y., Watanabe, K., Ando, Y., Sakuma, C., Sashida, Y., Furuya, S., Sakagami, H. J Nat Prod (2001) 64, 17-22
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) | 46 |
| 2 (CH) | 70.2 |
| 3 (CH) | 85.2 |
| 4 (CH2) | 37.2 |
| 5 (C) | 140 |
| 6 (CH) | 122 |
| 7 (CH2) | 32.2 |
| 8 (CH) | 31.2 |
| 9 (CH) | 50.2 |
| 10 (C) | 38 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 39.8 |
| 13 (C) | 40.5 |
| 14 (CH) | 56.5 |
| 15 (CH2) | 32.3 |
| 16 (CH) | 81.1 |
| 17 (CH) | 62.9 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 20.4 |
| 20 (CH) | 42 |
| 21 (CH3) | 15 |
| 22 (C) | 109.3 |
| 23 (CH2) | 31.9 |
| 24 (CH2) | 29.3 |
| 25 (CH) | 30.6 |
| 26 (CH2) | 66.9 |
| 27 (CH3) | 17.3 |
| 1' (CH) | 101.2 |
| 2' (CH) | 77.8 |
| 3' (CH) | 77.7 |
| 4' (CH) | 77.8 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 61 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 72.8 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 69.6 |
| 6'' (CH3) | 18.6 |
| 1''' (CH) | 102.3 |
| 2''' (CH) | 72.9 |
| 3''' (CH) | 73.3 |
| 4''' (CH) | 80.4 |
| 5''' (CH) | 68.4 |
| 6''' (CH3) | 18.9 |
| 1'''' (CH) | 103.3 |
| 2'''' (CH) | 72.7 |
| 3'''' (CH) | 72.9 |
| 4'''' (CH) | 74 |
| 5'''' (CH) | 70.4 |
| 6'''' (CH3) | 18.5 |
