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-methylpropanoate

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-methylpropanoate

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-methylpropanoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H44O12/c1-15(2)28(40)45-29-31(6)21-11-22(38)32(7)25(33(21,14-42-29)26(39)24(43-16(3)35)27(31)44-17(4)36)20(37)12-30(5)19(18-8-9-41-13-18)10-23-34(30,32)46-23/h8-9,13,15,19,21-27,29,38-39H,10-12,14H2,1-7H3/t19-,21-,22+,23+,24+,25-,26-,27+,29?,30-,31+,32+,33-,34+/m0/s1

InChIKey: InChIKey=RYOHUDAYJZTZOF-WTFUZECFSA-N

Formula: C34H44O12

Molecular Weight: 644.707273

Exact Mass: 644.283277

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) 40.9
5 (CH) 34.1
6 (CH2) 25.9
7 (CH) 71.7
8 (C) 42.3
9 (CH) 48.3
10 (C) 42
11 (C) 211.1
12 (CH2) 48.5
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) 64.6
20 (C) 123.1
21 (CH) 143.2
22 (CH) 110.7
23 (CH) 139.7
28 (CH3) 18.8
29 (CH) 93.5
30 (CH3) 20.9
2a (C) 168.8
2b (CH3) 20.7
3a (C) 170
3b (CH3) 20.7
29a (C) 175.8
29b (CH) 28
29c (CH3) 18.7
29ba (CH3) 18.7