Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40(50)37-42(51)41(38-57-39-43-45(53)46(54)47(55)48(56)58-43)49-44(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,40-43,45-48,50-51,53-56H,3-26,28,30-39H2,1-2H3,(H,49,52)/b29-27+/t40?,41?,42?,43-,45-,46+,47-,48-/m1/s1

InChIKey: InChIKey=RMAGLVGOQSWPHI-IVWFJVFTSA-N

Formula: C48H93N1O9

Molecular Weight: 828.255201

Exact Mass: 827.685034

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mukhtar N., Iqbal K., Anis I., Malik A. Phytochemistry (2002) 61, 1005-8

Species:

Notes: Family : Aliphatics; 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) 70.4
2 (CH) 51.7
3 (CH) 75.9
4 (CH2) 35.6
5 (CH) 72.4
6 (CH2) 33
7 (CH2) 32.9
8 (CH2) 33.8
9 (CH) 130.9
10 (CH) 130.7
11 (CH2) 33.3
12 (CH2) 32.1
13 (CH2) 30.5
14 (CH2) 29
15 (CH2) 28.3
16 (CH2) 30
17 (CH2) 30
18 (CH2) 30
19 (CH2) 30
20 (CH2) 30
21 (CH2) 30
22 (CH2) 30
23 (CH2) 30
24 (CH2) 30
25 (CH2) 29.5
26 (CH2) 19.4
27 (CH3) 14.3
1' (C) 175.8
2' (CH2) 30.1
3' (CH2) 29.9
4' (CH2) 30
5' (CH2) 30
6' (CH2) 30
7' (CH2) 30
8' (CH2) 30
9' (CH2) 30
10' (CH2) 30
11' (CH2) 30
12' (CH2) 30
13' (CH2) 23.6
14' (CH2) 21
15' (CH3) 13.9
1'' (CH) 105.5
2'' (CH) 75.1
3'' (CH) 78.1
4'' (CH) 71.5
5'' (CH) 78.5
6'' (CH2) 62.6