12β-Hydroxy-1α,6α-diacetoxy-ent-kaura-9(11),16-dien-15-one

12β-Hydroxy-1α,6α-diacetoxy-ent-kaura-9(11),16-dien-15-one

Common Name: 12β-Hydroxy-1α,6α-diacetoxy-ent-kaura-9(11),16-dien-15-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O6/c1-12-15-10-24(21(12)28)11-17(29-13(2)25)20-22(4,5)8-7-19(30-14(3)26)23(20,6)18(24)9-16(15)27/h9,15-17,19-20,27H,1,7-8,10-11H2,2-6H3/t15-,16-,17+,19+,20-,23-,24+/m1/s1

InChIKey: InChIKey=XFKVVBCVBXGLMH-JNEANYDJSA-N

Formula: C24H32O6

Molecular Weight: 416.508195

Exact Mass: 416.219889

NMR Solvent: C+M

MHz:

Calibration:

NMR references: 13C - Qu, J.B., Zhu, R.L., Zhang, Y.L., Guo, H.F., Wang, X.N., Xie, C.F., Yu, W.T., Ji, M., Lou, H.X. J Nat Prod (2008) 71, 1418-22

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 (CH) 79.3
2 (CH2) 25.8
3 (CH2) 40.1
4 (C) 33.6
5 (CH) 48.5
6 (CH) 68.5
7 (CH2) 35.2
8 (C) 49.7
9 (C) 147.5
10 (C) 42.8
11 (CH) 128.1
12 (CH) 69.8
13 (CH) 42.9
14 (CH2) 42.1
15 (C) 202.7
16 (C) 142.5
17 (CH2) 118.7
18 (CH3) 32.7
19 (CH3) 22.8
20 (CH3) 19.9
1a (C) 171.1
1b (CH3) 21.8
6a (C) 170.4
6b (CH3) 21.7