20,21-Diacetoxy-6-(3-furyl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicos-16-yl 2-methylbutanoate

20,21-Diacetoxy-6-(3-furyl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicos-16-yl 2-methylbutanoate

Common Name: 20,21-Diacetoxy-6-(3-furyl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicos-16-yl 2-methylbutanoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H46O12/c1-8-16(2)29(41)46-30-32(6)22-12-23(39)33(7)26(34(22,15-43-30)27(40)25(44-17(3)36)28(32)45-18(4)37)21(38)13-31(5)20(19-9-10-42-14-19)11-24-35(31,33)47-24/h9-10,14,16,20,22-28,30,39-40H,8,11-13,15H2,1-7H3/t16?,20-,22-,23+,24+,25+,26-,27-,28+,30?,31-,32+,33+,34-,35+/m0/s1

InChIKey: InChIKey=PRAMYZIXNOZDQY-RHOOQESOSA-N

Formula: C35H46O12

Molecular Weight: 658.73389

Exact Mass: 658.298927

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nakatani, M., Huang, R.C., Okamura, H., Naoki, H., Iwagawa, T. Phytochemistry (1994) 36, 39-41

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) 70.8
2 (CH) 68.5
3 (CH) 73.2
4 (C) 40.8
5 (CH) 41
6 (CH2) 26.6
7 (CH) 71.7
8 (C) 42.2
9 (CH) 48.3
10 (C) 42
11 (C) 211.1
12 (CH2) 48.9
13 (C) 43.6
14 (C) 72.6
15 (CH) 57.8
16 (CH2) 32.1
17 (CH) 39.1
18 (CH3) 21.7
19 (CH2) 64.4
20 (C) 123.1
21 (CH) 143.2
22 (CH) 110.7
23 (CH) 139.7
28 (CH3) 18.9
29 (CH) 93.5
30 (CH3) 21
2a (C) 168.8
2b (CH3) 20.7
3a (C) 170
3b (CH3) 20.7
29a (C) 175.4
29b (CH) 28
29c (CH2) 25.9
29d (CH3) 11.3
29ba (CH3) 16.3