Spektraris NMR
4α,7β-diacetoxy-2α,9α-dibenzoxy-5β,20-epoxy-10β,13α,15-trihydroxy-11(15-->1)-abeo-tax-11-ene
Common Name: 4α,7β-diacetoxy-2α,9α-dibenzoxy-5β,20-epoxy-10β,13α,15-trihydroxy-11(15-->1)-abeo-tax-11-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O12/c1-20-25(41)18-37(35(4,5)45)28(20)29(42)31(48-33(43)23-13-9-7-10-14-23)36(6)26(47-21(2)39)17-27-38(19-46-27,50-22(3)40)30(36)32(37)49-34(44)24-15-11-8-12-16-24/h7-16,25-27,29-32,41-42,45H,17-19H2,1-6H3/t25-,26-,27+,29+,30-,31-,32-,36+,37-,38-/m0/s1
InChIKey: InChIKey=DBJLWWSPTOJTSZ-FVIOHNRGSA-N
Formula: C38H44O12
Molecular Weight: 692.750216
Exact Mass: 692.283277
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guo, Y., Vanhaelen-Fastre, R., Diallo, B., Vanhaelen, M., Jaziri, M., Homes, J., Ottinger, R. J Nat Prod (1995) 58, 1015-23
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 (C) | 66.9 |
| 2 (CH) | 68.7 |
| 3 (CH) | 44.2 |
| 4 (C) | 79.2 |
| 5 (CH) | 85 |
| 6 (CH2) | 34.8 |
| 7 (CH) | 70.4 |
| 8 (C) | 43.1 |
| 9 (CH) | 79.4 |
| 10 (CH) | 66.7 |
| 11 (C) | 138.3 |
| 12 (C) | 145.5 |
| 13 (CH) | 77.8 |
| 14 (CH2) | 39.7 |
| 15 (C) | 76.2 |
| 16 (CH3) | 25.9 |
| 17 (CH3) | 27.7 |
| 18 (CH3) | 11.3 |
| 19 (CH3) | 20.5 |
| 20 (CH2) | 74.8 |
| 2a (C) | 165.3 |
| 2b (C) | 133.1 |
| 2c (CH) | 129.7 |
| 2d (CH) | 128.6 |
| 2e (CH) | 133 |
| 2f (CH) | 133.6 |
| 2g (CH) | 129.7 |
| 4a (C) | 171.7 |
| 4b (CH3) | 22.4 |
| 7a (C) | 171.7 |
| 7b (CH3) | 21.1 |
| 9a (C) | 165.3 |
| 9b (C) | 133.1 |
| 9c (CH) | 129.7 |
| 9d (CH) | 128.6 |
| 9e (CH) | 133 |
| 9f (CH) | 133.6 |
| 9g (CH) | 129.7 |
