Common Name: (3E,8E)-2a,9,10b,13a,20-Pentaacetoxy-5a,7b-dihydroxy-3,8-secotaxa-3,8,11-triene
Synonyms: (3E,8E)-2a,9,10b,13a,20-Pentaacetoxy-5a,7b-dihydroxy-3,8-secotaxa-3,8,11-triene (¼(2R,8E,11R,13S)-8-[(Acetoxy)methyl]-5,7-dihydroxy-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene2,3,10,13-tetrayl Tetraacetate;
CAS Registry Number:
InChI: InChI=1S/C30H42O12/c1-14-23(36)12-24(37)21(13-38-16(3)31)10-26(40-18(5)33)22-11-25(39-17(4)32)15(2)27(30(22,8)9)29(42-20(7)35)28(14)41-19(6)34/h10,22-26,29,36-37H,11-13H2,1-9H3/b21-10+,28-14-/t22-,23-,24-,25?,26?,29?/m0/s1
InChIKey: KHTYZPDBTLLAFE-QGFGLWKFSA-N
Formula: C30H42O12
Molecular Weight: 617.2574
Exact Mass: 617.2576
NMR Solvent: (D6)acetone, CDCl3
MHz: 500 (1H); 125 (13C)
Calibration: TMS
NMR references: Luh, L. J.
Abd El-Razek, M. H.
Liaw, C. C.
Arthur Chen, C. T.
Lin, Y. S.
Kuo, Y. H.
Chien, C. T.
Shen, Y. C. Helv. Chim. Acta 2009, 92, 1349.
Species: needles and stems of T. sumatrana
Notes:
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1 | 1.79 | dd | 6.6, 4.8 |
2 | 5.77 | dd | 11.4, 4.8 |
3a | 6.21 | d | 11.1 |
5 | 4.5 | br.s | |
6a | 2.43 | m | |
6b | 1.99 | m | |
7 | 4.36 | d |