ent-9,8-Seco-7α,11β-dihydroxykaura-8(14),16-dien-9,15-dione

ent-9,8-Seco-7α,11β-dihydroxykaura-8(14),16-dien-9,15-dione

Common Name: ent-9,8-Seco-7α,11β-dihydroxykaura-8(14),16-dien-9,15-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-11-12-8-13(17(11)23)14(21)10-16-19(2,3)6-5-7-20(16,4)18(24)15(22)9-12/h8,12,14-16,21-22H,1,5-7,9-10H2,2-4H3/t12-,14-,15+,16-,20-/m1/s1

InChIKey: InChIKey=MVMJWFDNKYVKQT-FCTSWLAKSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Perry, N.B., Burgess, E.J., Baek, S.H., Weavers, R.T., Geis, W., Mauer, A.B. Phytochemistry (1999) 50, 423-33

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 33.3
2 (CH2) 19.3
3 (CH2) 42
4 (C) 35.2
5 (CH) 42.5
6 (CH2) 36.4
7 (CH) 64.3
8 (C) 150.1
9 (C) 216.7
10 (C) 55.6
11 (CH) 78.4
12 (CH2) 38.6
13 (CH) 40.8
14 (CH) 158.2
15 (C) 195.2
16 (C) 151.2
17 (CH2) 111.4
18 (CH3) 34.5
19 (CH3) 23
20 (CH3) 19