Spiromarienonol B 3,7-Diacetate

Spiromarienonol B 3,7-Diacetate

Common Name: Spiromarienonol B 3,7-Diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H50O7/c1-19(16-23-17-20(2)28(37)41-23)24-10-12-33(9)29(38)34(15-14-31(24,33)7)27(40-22(4)36)18-25-30(5,6)26(39-21(3)35)11-13-32(25,34)8/h17,19,23-27H,10-16,18H2,1-9H3/t19-,23-,24-,25+,26-,27+,31-,32+,33+,34+/m1/s1

InChIKey: InChIKey=YHHXNSANUZRRJJ-JKYWPIKQSA-N

Formula: C34H50O7

Molecular Weight: 570.757893

Exact Mass: 570.355654

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tanaka, R., Wada, S.I., Aoki, H., Matsunaga, S., Yamori, T. Helv Chim Acta (2004) 87, 240-9

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Abeo-Lanostanes; 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 (CH2) 29.6
2 (CH2) 24.2
3 (CH) 76.3
4 (C) 36.5
5 (CH) 43.4
6 (CH2) 32.2
7 (CH) 79
8 (C) 218.9
9 (C) 62.3
10 (C) 50.2
11 (CH2) 23.7
12 (CH2) 33.3
13 (C) 46.5
14 (C) 61
15 (CH2) 29.8
16 (CH2) 27
17 (CH) 52.6
18 (CH3) 20.4
19 (CH3) 16.2
20 (CH) 32.8
21 (CH3) 18.4
22 (CH2) 40
23 (CH) 78.7
24 (CH) 149.3
25 (C) 129.7
26 (C) 174.2
27 (CH3) 10.6
28 (CH3) 28.2
29 (CH3) 22.1
30 (CH3) 19.4
3a (C) 169.7
3b (CH3) 21.2
7a (C) 170.9
7b (CH3) 21.3