(1S,1'S,2R,2'S,4R,9'R,10'R,15'S)-4-(2-Hydroxy-2-propanyl)-1,9',10',14',14'-pentamethyl-3,7,16'-trioxaspiro[bicyclo[2.2.1]heptane-2,6'-pentacyclo[13.2.2.01,13.02,10.05,9]nonadecan]-15'-ol

(1S,1'S,2R,2'S,4R,9'R,10'R,15'S)-4-(2-Hydroxy-2-propanyl)-1,9',10',14',14'-pentamethyl-3,7,16'-trioxaspiro[bicyclo[2.2.1]heptane-2,6'-pentacyclo[13.2.2.01,13.02,10.05,9]nonadecan]-15'-ol

Common Name: (1S,1'S,2R,2'S,4R,9'R,10'R,15'S)-4-(2-Hydroxy-2-propanyl)-1,9',10',14',14'-pentamethyl-3,7,16'-trioxaspiro[bicyclo[2.2.1]heptane-2,6'-pentacyclo[13.2.2.01,13.02,10.05,9]nonadecan]-15'-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O5/c1-22(2)19-10-11-24(5)20(27(19)14-16-29(22,32)33-18-27)8-9-21-25(24,6)12-15-28(21)26(7)13-17-30(34-26,35-28)23(3,4)31/h19-21,31-32H,8-18H2,1-7H3/t19-,20-,21-,24+,25+,26-,27+,28+,29-,30+/m0/s1

InChIKey: InChIKey=AUUULKFBJYAZMX-NNAIOVJYSA-N

Formula: C30H48O5

Molecular Weight: 488.700258

Exact Mass: 488.350175

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nagaya, H., Tobita, Y., Nagae, T., Itokawa, H., Takeya, K., Halim, A.F., AbdelHalim, O.B. Phytochemistry (1997) 44, 1115-9

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) 35.7
2 (CH2) 29.6
3 (C) 98.2
4 (C) 40.5
5 (CH) 45.5
6 (CH2) 19.8
7 (CH2) 32.7
8 (C) 39.3
9 (CH) 49.9
10 (C) 35.6
11 (CH2) 22.8
12 (CH2) 24
13 (CH) 44.6
14 (C) 49.4
15 (CH2) 31.8
16 (CH2) 37.7
17 (C) 89.3
18 (CH3) 17.6
19 (CH2) 68
20 (C) 91.3
21 (CH3) 16.3
22 (CH2) 32.1
23 (CH2) 32
24 (C) 112.8
25 (C) 70.4
26 (CH3) 25.5
27 (CH3) 24.1
28 (CH3) 26.8
29 (CH3) 18.5
30 (CH3) 15.1