Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(32)13-20(29(9,10)37)40-26(34)14(2)3)23(41-27(35)15(4)5)25(30(24,11)38)39-18(8)31/h12,14-15,19-25,32-33,37-38H,7,13H2,1-6,8-11H3/b16-12-/t19?,20?,21-,22-,23-,24-,25-,30+/m0/s1

InChIKey: InChIKey=BUDAGGCDYODQJC-AHBCXUIRSA-N

Formula: C30H48O12

Molecular Weight: 600.696092

Exact Mass: 600.314577

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Su, B.N., Zhu, Q.X., Jia, Z.J. Phytochemistry (2000) 53, 1103-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 65.5
2 (CH) 76.1
3 (C) 74.1
4 (CH) 71.7
5 (CH) 70.4
6 (CH) 40.9
7 (C) 141.1
8 (CH) 74.9
9 (CH2) 35.4
10 (CH) 77.3
11 (C) 72.6
12 (CH3) 22.8
13 (CH3) 25.8
14 (CH2) 118.1
15 (CH3) 23.1
2a (C) 167
2b (C) 139.1
2c (CH) 127.2
2d (CH3) 20.5
2ba (CH3) 15.8
4a (C) 169.8
4b (CH3) 20.6
5a (C) 176.7
5b (CH) 34.1
5c (CH3) 18.5
5ba (CH3) 18.9
10a (C) 175.2
10b (CH) 34.1
10c (CH3) 19
10ba (CH3) 19.1