(3β)-3,20,25-Trihydroxydammarane-21,29-dioic acid

(3β)-3,20,25-Trihydroxydammarane-21,29-dioic acid

Common Name: (3β)-3,20,25-Trihydroxydammarane-21,29-dioic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O7/c1-25(2,36)13-7-14-30(37,24(34)35)19-10-16-27(4)18(19)8-9-20-26(3)15-12-22(31)29(6,23(32)33)21(26)11-17-28(20,27)5/h18-22,31,36-37H,7-17H2,1-6H3,(H,32,33)(H,34,35)/t18-,19+,20-,21-,22+,26-,27-,28-,29-,30+/m1/s1

InChIKey: InChIKey=ZGKDRXXJTXCBBW-JDKVVRRTSA-N

Formula: C30H50O7

Molecular Weight: 522.714949

Exact Mass: 522.355654

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yang, Z., Chen, Q., Hu, L. Phytochemistry (2007) 68, 1752-61

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) 40.3
2 (CH2) 26.4
3 (CH) 78.4
4 (C) 49.5
5 (CH) 57.3
6 (CH2) 20.9
7 (CH2) 36.1
8 (C) 40.7
9 (CH) 50.7
10 (C) 38
11 (CH2) 22.3
12 (CH2) 24.6
13 (CH) 41.4
14 (C) 50.7
15 (CH2) 31.2
16 (CH2) 29.4
17 (CH) 49
18 (CH3) 16.7
19 (CH3) 14.6
20 (C) 78.4
21 (C) 180.3
22 (CH2) 40.7
23 (CH2) 19.7
24 (CH2) 45.3
25 (C) 69.8
26 (CH3) 29.9
27 (CH3) 30.3
28 (CH3) 24.8
29 (C) 180.9
30 (CH3) 15.8