8-[(5-Carboxy-2,9-epoxy)benzyl]-2,5-dihydroxy-1,1,4a,7,8-pentamethyl-1,2,3,4,4a,6,7,8,9,10,10-adodecahydrophenanthrene

8-[(5-Carboxy-2,9-epoxy)benzyl]-2,5-dihydroxy-1,1,4a,7,8-pentamethyl-1,2,3,4,4a,6,7,8,9,10,10-adodecahydrophenanthrene

Common Name: 8-[(5-Carboxy-2,9-epoxy)benzyl]-2,5-dihydroxy-1,1,4a,7,8-pentamethyl-1,2,3,4,4a,6,7,8,9,10,10-adodecahydrophenanthrene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O5/c1-14-10-17(28)22-23-19(12-20-25(2,3)21(29)8-9-26(20,22)4)32-18-7-6-15(24(30)31)11-16(18)13-27(14,23)5/h6-7,11,14,17,19-21,28-29H,8-10,12-13H2,1-5H3,(H,30,31)/t14-,17+,19-,20-,21-,26-,27-/m1/s1

InChIKey: InChIKey=MJJYRBWVKARFOM-FORJUWHVSA-N

Formula: C27H36O5

Molecular Weight: 440.572761

Exact Mass: 440.256274

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jaki, B., Heilmann, J., Sticher, O. J Nat Prod (2000) 63, 1283-5

Species:

Notes: Family : Terpenoids, Type : Meroditerpenoids, Group : Miscellanea; 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) 36.2
2 (CH2) 28.5
3 (CH) 79.5
4 (C) 39.9
5 (CH) 45.6
6 (CH2) 29.3
7 (CH) 77.1
8 (C) 138.5
9 (C) 146.9
10 (C) 39.8
11 (CH) 64.8
12 (CH2) 38.6
13 (CH) 34.4
14 (C) 41.4
15 (CH2) 38.2
16 (CH3) 17.6
17 (CH3) 26.4
18 (CH3) 16.5
19 (CH3) 28.7
20 (CH3) 21.8
1' (C) 127
2' (CH) 133.6
3' (C) 126.9
4' (CH) 130.6
5' (CH) 121.6
6' (C) 163.8
3'a (C) 170.2