Spektraris NMR
(6S,24epsylon)-Diacetyloxy-29-nor-3,4-seco-cycloart-4(30),25-dien-3-oic acid methyl ester
Common Name: (6S,24epsylon)-Diacetyloxy-29-nor-3,4-seco-cycloart-4(30),25-dien-3-oic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O6/c1-10-25-27(40-23(5)35)19-28-32(7)15-13-26(22(4)11-12-24(21(2)3)30(37)39-9)31(32,6)17-18-34(28)20-33(25,34)16-14-29(36)38-8/h10,22,24-28H,1-2,11-20H2,3-9H3/t22-,24?,25-,26-,27+,28+,31-,32+,33-,34+/m1/s1
InChIKey: InChIKey=CTCYMSIIHVMXFP-SUTFBGPFSA-N
Formula: C34H52O6
Molecular Weight: 556.774369
Exact Mass: 556.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, D., Cuendet, M., Axelrod, F., Chavez, P.I., Fong, H.H.S., Pezzuto, J.M., Kinghorn, A.D. Tetrahedron (2001) 57, 7107-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 28.8 |
| 2 (CH2) | 31.5 |
| 3 (C) | 173.8 |
| 4 (CH) | 138.3 |
| 5 (CH) | 48.4 |
| 6 (CH) | 73.8 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 47.2 |
| 9 (C) | 23.5 |
| 10 (C) | 30.2 |
| 11 (CH2) | 26.6 |
| 12 (CH2) | 32.6 |
| 13 (C) | 45 |
| 14 (C) | 48.6 |
| 15 (CH2) | 35.6 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 18.3 |
| 19 (CH2) | 29.4 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 18.1 |
| 22 (CH2) | 31.3 |
| 23 (CH2) | 29.1 |
| 24 (CH) | 77.5 |
| 25 (C) | 142.9 |
| 26 (CH3) | 18 |
| 27 (CH2) | 112.4 |
| 29 (CH2) | 117.5 |
| 30 (CH3) | 19.4 |
| 3a (CH3) | 51.5 |
| 6b (C) | 170.5 |
| 6c (CH3) | 21.2 |
| 24a (C) | 170.2 |
| 24b (CH3) | 21.2 |
