ent-3b,6a-dihydroxy-13-epi-manoyl oxide

ent-3b,6a-dihydroxy-13-epi-manoyl oxide

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)

Carbon NMR Peaks

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