Spektraris NMR
(4bbeta,10aalpha)-Hexadecahydro-4alpha,6beta,8abeta,10alpha-tetraacetoxy-1beta-(benzoyloxy)-2beta,4aalpha,6,9aalpha-tetramethylcyclopenta[b]fluorene-3abeta,8alpha-diol
![(4bbeta,10aalpha)-Hexadecahydro-4alpha,6beta,8abeta,10alpha-tetraacetoxy-1beta-(benzoyloxy)-2beta,4aalpha,6,9aalpha-tetramethylcyclopenta[b]fluorene-3abeta,8alpha-diol](/nmr/static/nmr/svg/7897.svg)
Common Name: (4bbeta,10aalpha)-Hexadecahydro-4alpha,6beta,8abeta,10alpha-tetraacetoxy-1beta-(benzoyloxy)-2beta,4aalpha,6,9aalpha-tetramethylcyclopenta[b]fluorene-3abeta,8alpha-diol
Synonyms: (4bbeta,10aalpha)-Hexadecahydro-4alpha,6beta,8abeta,10alpha-tetraacetoxy-1beta-(benzoyloxy)-2beta,4aalpha,6,9aalpha-tetramethylcyclopenta[b]fluorene-3abeta,8alpha-diol
CAS Registry Number:
InChI: InChI=1S/C35H46O12/c1-18-14-34(42)26(27(18)45-29(41)23-12-10-9-11-13-23)28(43-19(2)36)32(7)17-35(47-22(5)39)24(33(32,8)30(34)44-20(3)37)15-31(6,16-25(35)40)46-21(4)38/h9-13,18,24-28,30,40,42H,14-17H2,1-8H3/t18-,24-,25-,26+,27-,28+,30+,31+,32-,33+,34+,35-/m0/s1
InChIKey: InChIKey=IJIJAFBMVYTMPE-ZMHDZMPESA-N
Formula: C35H46O12
Molecular Weight: 658.73389
Exact Mass: 658.298927
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hohmann, J., Evanics, F., Berta, L., Bartok, T. Planta Med (2000) 66, 291-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pepluanes; 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) | 45.1 |
| 2 (CH) | 36.5 |
| 3 (CH) | 76.8 |
| 4 (CH) | 49 |
| 5 (CH) | 70.4 |
| 6 (C) | 49.3 |
| 7 (CH2) | 40.3 |
| 8 (C) | 89.6 |
| 9 (CH) | 65.6 |
| 10 (C) | 41.2 |
| 11 (CH2) | 81 |
| 12 (CH) | 31.8 |
| 13 (C) | 46.9 |
| 14 (CH) | 51.8 |
| 15 (C) | 74.4 |
| 16 (CH3) | 84.6 |
| 17 (CH3) | 16.7 |
| 18 (CH2) | 16.8 |
| 19 (CH3) | 29 |
| 20 (CH3) | 16.6 |
| 3a (C) | 166 |
| 3b (C) | 133.5 |
| 3c (CH) | 129.8 |
| 3d (CH) | 128.7 |
| 3e (CH) | 130.7 |
| 3f (CH) | 128.7 |
| 3g (CH) | 129.8 |
| 5a (C) | 170.3 |
| 5b (CH3) | 21.4 |
| 8a (C) | 170.8 |
| 8b (CH3) | 22.7 |
| 10a (C) | 172.2 |
| 10b (CH3) | 22.7 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21.3 |
