Spektraris NMR

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: