Common Name: ent-3b,6a-dihydroxy-13-epi-manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-9-15(2)10-11-19-23(7)13-12-20(29-17(4)26)22(5,6)21(23)18(28-16(3)25)14-24(19,8)27/h9,18-21,27H,1-2,10-14H2,3-8H3/t18-,19?,20-,21-,23+,24+/m1/s1
InChIKey: InChIKey=JEHPQMQJHOAQFV-SAYCDUDNSA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Martinez, A., Onorato, M.E., Parra, A., Recondo, M.B., Rivas, F., Arrebola, M.L., Socorro, O. Phytochemistry (1994) 35, 645-50
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.3 |
2 (CH2) | 24.2 |
3 (CH) | 80.2 |
4 (C) | 37.1 |
5 (CH) | 57.8 |
6 (CH) | 70 |
7 (CH2) | 50.1 |
8 (C) | 73.2 |
9 (CH) | 60.5 |
10 (C) | 39.3 |
11 (CH2) | 22.9 |
12 (CH2) | 34.5 |
13 (C) | 146.9 |
14 (CH) | 138.6 |
15 (CH2) | 115.9 |
16 (CH2) | 113.6 |
17 (CH3) | 25.2 |
18 (CH3) | 29.9 |
19 (CH3) | 16.5 |
20 (CH3) | 16.8 |
3a (C) | 171 |
3b (CH3) | 21.3 |
6a (C) | 170 |
6b (CH3) | 21.3 |