Common Name: 3-Methyl-5-[(1S)-1,2alpha,4aalpha-trimethyl-5beta-(hydroxymethyl)-5-hydroxy-1,2,3,4,4a,5,6,7,8,8abeta-decahydronaphthalene-1beta-yl]pentanoic acid
Synonyms: 3-Methyl-5-[(1S)-1,2alpha,4aalpha-trimethyl-5beta-(hydroxymethyl)-5-hydroxy-1,2,3,4,4a,5,6,7,8,8abeta-decahydronaphthalene-1beta-yl]pentanoic acid
CAS Registry Number:
InChI: InChI=1S/C20H36O4/c1-14(12-17(22)23)7-10-18(3)15(2)8-11-19(4)16(18)6-5-9-20(19,24)13-21/h14-16,21,24H,5-13H2,1-4H3,(H,22,23)/t14?,15-,16-,18+,19-,20+/m1/s1
InChIKey: InChIKey=LVKUKTFPMNKMIN-RTCOZFHTSA-N
Formula: C20H36O4
Molecular Weight: 340.498205
Exact Mass: 340.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, H.P., Shen, Y.M., Zuo, G.Y., Yang, X.S., Hao, X.J. Helv Chim Acta (2003) 86, 3187-93
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)
Position | PPM |
---|---|
1 (CH2) | 26.4 |
2 (CH2) | 21.1 |
3 (CH2) | 33 |
4 (C) | 87.1 |
5 (C) | 40.2 |
6 (CH2) | 31.8 |
7 (CH2) | 27.2 |
8 (CH) | 36.3 |
9 (C) | 38.8 |
10 (CH) | 41.4 |
11 (CH2) | 35.8 |
12 (CH2) | 29.3 |
13 (CH) | 30.9 |
14 (CH2) | 41.4 |
15 (C) | 178.1 |
16 (CH3) | 19.8 |
17 (CH3) | 16 |
18 (CH2) | 70.1 |
19 (CH3) | 24.4 |
20 (CH3) | 18.4 |