(3R)-3alpha-Isopropyl-5aalpha-(hydroxymethyl)-8-methyl-1,2,3,3a,4,5,5a,6,10aalpha,10bbeta-decahydrocyclohept[e]indene-3aalpha-carboxylic acid

(3R)-3alpha-Isopropyl-5aalpha-(hydroxymethyl)-8-methyl-1,2,3,3a,4,5,5a,6,10aalpha,10bbeta-decahydrocyclohept[e]indene-3aalpha-carboxylic acid

Common Name: (3R)-3alpha-Isopropyl-5aalpha-(hydroxymethyl)-8-methyl-1,2,3,3a,4,5,5a,6,10aalpha,10bbeta-decahydrocyclohept[e]indene-3aalpha-carboxylic acid

Synonyms: (3R)-3alpha-Isopropyl-5aalpha-(hydroxymethyl)-8-methyl-1,2,3,3a,4,5,5a,6,10aalpha,10bbeta-decahydrocyclohept[e]indene-3aalpha-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-13(2)15-6-7-17-16-5-4-14(3)8-9-19(16,12-21)10-11-20(15,17)18(22)23/h4-5,8,13,15-17,21H,6-7,9-12H2,1-3H3,(H,22,23)/t15-,16+,17+,19-,20+/m1/s1

InChIKey: InChIKey=VSYVHDWPKRFEIM-QQBOBMDFSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nicoletti, M., DiFabio, A., Dandrea, A., Salvatore, G., vanBaren, C., Coussio, J.D. Phytochemistry (1996) 43, 1065-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Mulinanes; 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) 24.5
2 (CH2) 28.7
3 (CH) 57.6
4 (CH) 31.7
5 (C) 58.1
6 (CH2) 32.1
7 (CH2) 38.4
8 (C) 35.1
9 (CH) 54.2
10 (CH) 45
11 (CH) 132.7
12 (CH) 128.3
13 (C) 131.9
14 (CH) 124
15 (CH2) 32.6
16 (CH3) 25.4
17 (CH2) 70.3
18 (CH3) 22.7
19 (CH3) 22.4
20 (C) 179.8