Spektraris NMR
(23R,25R)-3,4-seco-9beta-H-lanosta-4(28),7-dien-26,23-olid-3-oic acid
Common Name: (23R,25R)-3,4-seco-9beta-H-lanosta-4(28),7-dien-26,23-olid-3-oic acid
Synonyms: (23R,25R)-3,4-seco-9beta-H-lanosta-4(28),7-dien-26,23-olid-3-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18(2)22-8-9-25-24(28(22,5)13-12-26(31)32)11-15-29(6)23(10-14-30(25,29)7)19(3)16-21-17-20(4)27(33)34-21/h9,19-24H,1,8,10-17H2,2-7H3,(H,31,32)/t19-,20-,21-,22+,23-,24-,28+,29-,30+/m1/s1
InChIKey: InChIKey=ZDQKZDFYRZDVIL-XLPYTDSASA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wada, S., Iida, A., Tanaka, R. J Nat Prod (2002) 65, 1657-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : 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) | 28.7 |
| 2 (CH2) | 29.1 |
| 3 (C) | 180.6 |
| 4 (C) | 149.6 |
| 5 (CH) | 45.3 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 117.9 |
| 8 (C) | 146.3 |
| 9 (CH) | 38.6 |
| 10 (C) | 36.3 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 33.9 |
| 13 (C) | 43.7 |
| 14 (C) | 51.5 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 53.5 |
| 18 (CH3) | 21.7 |
| 19 (CH3) | 24 |
| 20 (CH) | 33.1 |
| 21 (CH3) | 18.1 |
| 22 (CH2) | 42.5 |
| 23 (CH) | 76 |
| 24 (CH2) | 36.4 |
| 25 (CH) | 34.2 |
| 26 (C) | 180.2 |
| 27 (CH3) | 15.9 |
| 28 (CH2) | 112 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 27.4 |
