Common Name: (2S*,3S*,4R*,5R*,6S*,8R*,11 S*,12S*,13R*,14R*,15 R*)- 6,11,14,-Triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy- 15-hydroxy-9-oxo-segetane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O14/c1-18-14-37(45)27(28(18)50-32(44)23-12-10-9-11-13-23)31(49-25(42)16-46-19(2)38)36(51-22(5)41)15-24-26(35(8,17-36)33(37)48-21(4)40)30(47-20(3)39)34(6,7)29(24)43/h9-13,18,24,26-28,30-31,33,45H,14-17H2,1-8H3/t18-,24+,26+,27+,28-,30-,31+,33+,35?,36?,37+/m0/s1
InChIKey: InChIKey=RCVCMLLRUPYTNC-BBJHNKJKSA-N
Formula: C37H46O14
Molecular Weight: 714.754172
Exact Mass: 714.288756
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Morgenstern, T., Marco, J.A., Berendsohn, W. Phytochemistry (1998) 47, 1611-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Segetanes; 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)
Position | PPM |
---|---|
1 (CH2) | 50.3 |
2 (CH) | 37.1 |
3 (CH) | 80.8 |
4 (CH) | 48.2 |
5 (CH) | 70 |
6 (C) | 81.6 |
7 (CH2) | 37 |
8 (CH) | 45.1 |
9 (C) | 214.7 |
10 (C) | 49.4 |
11 (CH) | 77.8 |
12 (CH) | 50.8 |
13 (C) | 40.9 |
14 (CH) | 75 |
15 (C) | 83 |
16 (CH3) | 14.2 |
17 (CH2) | 38.9 |
18 (CH3) | 18.4 |
19 (CH3) | 25.1 |
20 (CH3) | 32 |
3a (C) | 165.9 |
3b (C) | 129.3 |
3c (CH) | 129.2 |
3d (CH) | 128.8 |
3e (CH) | 133.4 |
3f (CH) | 128.8 |
3g (CH) | 129.2 |
5a (C) | 167 |
5b (CH2) | 60.4 |
5c (C) | 170 |
5d (CH3) | 20.3 |
6a (C) | 170.7 |
6b (CH3) | 21.7 |
11a (C) | 170.5 |
11b (CH3) | 20.9 |
14a (C) | 170 |
14b (CH3) | 21 |