Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H52O6/c1-20(36)39-28-18-26-30(2,3)27(37)14-16-34(26,9)25-13-15-33(8)22(11-12-24(33)35(25,28)10)21-17-23-29(31(4,5)38-19-21)41-32(6,7)40-23/h12,14,16,21-23,25-26,28-29H,11,13,15,17-19H2,1-10H3/t21-,22+,23-,25-,26+,28-,29+,33+,34-,35+/m1/s1

InChIKey: InChIKey=NTCCIGBTUHYGKZ-RZTZTKHISA-N

Formula: C35H52O6

Molecular Weight: 568.785105

Exact Mass: 568.376389

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mitsui, K., Saito, H., Yamamura, R., Fukaya, H., Hitotsuyanagi, Y., Takeya, K. Chem Pharm Bull (2007) 55, 1442-7

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) 158.4
2 (CH) 125.5
3 (C) 204.7
4 (C) 44.2
5 (CH) 46.3
6 (CH2) 23.9
7 (CH) 74.8
8 (C) 42.8
9 (CH) 38.6
10 (C) 39.9
11 (CH2) 16.9
12 (CH2) 34
13 (C) 46.2
14 (C) 159.4
15 (CH) 119.2
16 (CH2) 34.9
17 (CH) 52.3
18 (CH3) 19.9
19 (CH3) 19.1
20 (CH) 36.7
21 (CH2) 63.6
22 (CH2) 35.3
23 (CH) 74.2
24 (CH) 87.3
25 (C) 73.6
26 (CH3) 22.9
27 (CH3) 26.6
28 (CH3) 27.1
29 (CH3) 21.3
30 (CH3) 27.4
1' (C) 109
2' (CH3) 26.9
3' (CH3) 27.5
7a (C) 170.1
7b (CH3) 21.2