Spektraris NMR
5a-Hydroxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)abeotaxa-4(20),11-dien-9-one)
Common Name: 5a-Hydroxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)abeotaxa-4(20),11-dien-9-one)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O10/c1-13-21(35-14(2)29)10-19-22(36-15(3)30)9-18-12-28(8,23(11-20(18)33)37-16(4)31)26(34)25(38-17(5)32)24(13)27(19,6)7/h9,19-23,25,33H,10-12H2,1-8H3/b18-9+/t19-,20-,21-,22-,23-,25+,28-/m0/s1
InChIKey: InChIKey=MLYDZECFCXRQOK-IANSKHESSA-N
Formula: C28H38O10
Molecular Weight: 534.596403
Exact Mass: 534.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Q., Oritani, T., Sugiyama, T., Murakami, R., Wei, H. J Nat Prod (1999) 62, 1114-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Taxanes; 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) | 47.1 |
| 2 (CH) | 70 |
| 3 (CH2) | 35.7 |
| 4 (C) | 139.5 |
| 5 (CH) | 69.3 |
| 6 (CH2) | 38.1 |
| 7 (CH) | 70.8 |
| 8 (C) | 53.5 |
| 9 (C) | 206.4 |
| 10 (CH) | 78.6 |
| 11 (C) | 132.3 |
| 12 (C) | 137.6 |
| 13 (CH) | 70 |
| 14 (CH2) | 27.1 |
| 15 (C) | 36.4 |
| 16 (CH3) | 35.7 |
| 17 (CH3) | 24.1 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 22.1 |
| 20 (CH) | 124.6 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.6 |
| 7a (C) | 170.7 |
| 7b (CH3) | 21.3 |
| 10a (C) | 171 |
| 10b (CH3) | 21.5 |
| 13a (C) | 169.7 |
| 13b (CH3) | 21.5 |
