2a,7b,13a-Triacetoxy,5a,9a-dihydroxy-2(3-->20)abeotaxa-4(20),11-dien-10-one

2a,7b,13a-Triacetoxy,5a,9a-dihydroxy-2(3-->20)abeotaxa-4(20),11-dien-10-one

Common Name: 2a,7b,13a-Triacetoxy,5a,9a-dihydroxy-2(3-->20)abeotaxa-4(20),11-dien-10-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O9/c1-12-19(33-13(2)27)9-17-20(34-14(3)28)8-16-11-26(7,21(10-18(16)30)35-15(4)29)24(32)23(31)22(12)25(17,5)6/h8,17-21,24,30,32H,9-11H2,1-7H3/b16-8+/t17-,18-,19-,20-,21-,24-,26-/m0/s1

InChIKey: InChIKey=KFMLUMNMAGWYIP-HOURTPDESA-N

Formula: C26H36O9

Molecular Weight: 492.559645

Exact Mass: 492.235933

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Shi, Q.W., Oritani, T., Kiyota, H., Zhao, D. Phytochemistry (2000) 54, 829-34

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) 46.7
2 (CH) 71.5
3 (CH2) 33.3
4 (C) 140.1
5 (CH) 67.1
6 (CH2) 36.5
7 (CH) 73.4
8 (C) 45.2
9 (CH) 77
10 (C) 207.5
11 (C) 141.6
12 (C) 142.2
13 (CH) 67.9
14 (CH2) 26.8
15 (C) 35.8
16 (CH3) 24.7
17 (CH3) 32.9
18 (CH3) 19.4
19 (CH3) 16
20 (CH) 119.8
2a (C) 170
2b (CH3) 21.5
7a (C) 170
7b (CH3) 21.1
13a (C) 170.4
13b (CH3) 21.1