Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H43NO13/c1-19(2)30(41)48-26-25-27(40)36(50-33(25,5)6)34(7,44)16-24(46-20(3)38)28(47-21(4)39)35(36,18-45-31(42)23-14-11-15-37-17-23)29(26)49-32(43)22-12-9-8-10-13-22/h8-15,17,19,24-29,40,44H,16,18H2,1-7H3/t24-,25+,26-,27+,28-,29+,34-,35-,36-/m0/s1

InChIKey: InChIKey=RQCVBCCHHBFAPC-DHTNLRBWSA-N

Formula: C36H43N1O13

Molecular Weight: 697.726952

Exact Mass: 697.27344

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhiqing, J., Qidong, Z., Baojun, S., Shaopeng, W., Mingan, W., Wenjun, W. Nat Prod Res (2009) 23, 470-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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 (CH) 75.06
2 (CH) 67.4
3 (CH2) 41
4 (C) 72.04
5 (C) 91.31
6 (CH) 77.13
7 (CH) 53.67
8 (CH) 73.41
9 (CH) 75.46
10 (C) 50.64
11 (C) 84.53
12 (CH3) 26.26
13 (CH3) 29.89
14 (CH2) 62.95
15 (CH3) 24.57
1a (C) 169.44
1b (CH3) 20.94
2a (C) 169.3
2b (CH3) 21.02
8a (C) 175.71
8b (CH) 34.02
8c (CH3) 18.41
8d (CH3) 18.54
9a (C) 165.5
9b (C) 129.3
9c (CH) 129.12
9d (CH) 128.59
9e (CH) 133.36
9f (CH) 128.59
9g (CH) 129.12
14a (C) 165.23
14b (C) 125.35
14c (CH) 151.04
14d (CH) 153.95
14e (CH) 123.78
14f (CH) 137.02