Common Name: ent-11β-Acetoxy-5α-ros-1(10)-en-15ξ,16-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O6/c1-16(27)30-15-23(32-18(3)29)25(6)13-19-10-11-20-21(9-8-12-24(20,4)5)26(19,7)22(14-25)31-17(2)28/h9,19-20,22-23H,8,10-15H2,1-7H3/t19-,20-,22+,23?,25+,26-/m0/s1
InChIKey: InChIKey=CTWXTZGDYLLCNK-VVAXQREOSA-N
Formula: C26H40O6
Molecular Weight: 448.593193
Exact Mass: 448.282489
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 953-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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 (CH) | 121.6 |
2 (CH2) | 21.8 |
3 (CH2) | 35.2 |
4 (C) | 31.2 |
5 (CH) | 32 |
6 (CH2) | 24.6 |
7 (CH2) | 23.3 |
8 (CH) | 41.3 |
9 (C) | 42.1 |
10 (C) | 144.9 |
11 (CH) | 75 |
12 (CH2) | 34.4 |
13 (C) | 37.5 |
14 (CH2) | 35.8 |
15 (CH) | 78.5 |
16 (CH2) | 62.8 |
17 (CH3) | 23.2 |
18 (CH3) | 20.4 |
19 (CH3) | 28.7 |
20 (CH3) | 14.3 |
11a (C) | 170.2 |
11b (CH3) | 20.7 |
15a (C) | 170.5 |
15b (CH3) | 21.4 |
16a (C) | 170.7 |
16b (CH3) | 20.8 |