Methyl 15,16-epoxy-3,13(16),14-ent-clerodatrien-18,19-olide-17-carboxylate

Methyl 15,16-epoxy-3,13(16),14-ent-clerodatrien-18,19-olide-17-carboxylate

Common Name: Methyl 15,16-epoxy-3,13(16),14-ent-clerodatrien-18,19-olide-17-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H26O5/c1-20(9-6-14-8-11-25-12-14)15(18(22)24-2)7-10-21-13-26-19(23)16(21)4-3-5-17(20)21/h4,8,11-12,15,17H,3,5-7,9-10,13H2,1-2H3/t15-,17+,20-,21+/m0/s1

InChIKey: InChIKey=KAQREUHMTOCSOV-APMMZXSISA-N

Formula: C21H26O5

Molecular Weight: 358.428938

Exact Mass: 358.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Youngsa-ad, W., Ngamrojanavanich, N., Mahidol, C., Ruchirawat, S., Prawat, H., Kittakoop, P. Planta Med (2007) 73, 1491-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 19.2
2 (CH2) 27.4
3 (CH) 135.8
4 (C) 138.1
5 (C) 45.2
6 (CH2) 33.4
7 (CH2) 22
8 (CH) 48.8
9 (C) 38.8
10 (CH) 47.7
11 (CH2) 39.8
12 (CH2) 18.3
13 (C) 124.5
14 (CH) 110.8
15 (CH) 142.9
16 (CH) 138.5
17 (C) 173.8
18 (C) 169
19 (CH2) 71.5
20 (CH3) 19.3
17a (CH3) 51.3