(3E,7E)-2a,10b-Diacetoxy-5a,13a,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one

(3E,7E)-2a,10b-Diacetoxy-5a,13a,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one

Common Name: (3E,7E)-2a,10b-Diacetoxy-5a,13a,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H34O8/c1-12-7-8-18(28)16(11-25)9-20(31-14(3)26)17-10-19(29)13(2)21(24(17,5)6)23(22(12)30)32-15(4)27/h7,9,17-20,23,25,28-29H,8,10-11H2,1-6H3/b12-7-,16-9+/t17-,18-,19-,20-,23+/m0/s1

InChIKey: InChIKey=HHYWWQLZKXSUFQ-QSOOSBSQSA-N

Formula: C24H34O8

Molecular Weight: 450.522887

Exact Mass: 450.225368

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Shi, Q.W., Oritani, T., Sugiyama, T., Kiyota, H. J Nat Prod (1998) 61, 1437-40

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : 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) 47.42
2 (CH) 67.08
3 (CH) 120.9
4 (C) 144.89
5 (CH) 69.53
6 (CH2) 34.3
7 (CH) 136.5
8 (C) 137.41
9 (C) 194.73
10 (CH) 76.55
11 (C) 140.38
12 (C) 134.81
13 (CH) 70.4
14 (CH2) 23.84
15 (C) 37.23
16 (CH3) 34.74
17 (CH3) 27.12
18 (CH3) 18.07
19 (CH3) 11.83
20 (CH2) 57.55
2a (C) 171.54
2b (CH3) 20.99
10a (C) 169.73
10b (CH3) 21.82