Methyl 3β,23(R)-dihydroxy-29-nor-cycloart-24-en-28-oate 3-sulfate

Methyl 3β,23(R)-dihydroxy-29-nor-cycloart-24-en-28-oate 3-sulfate

Common Name: Methyl 3β,23(R)-dihydroxy-29-nor-cycloart-24-en-28-oate 3-sulfate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O7S/c1-18(2)15-20(31)16-19(3)21-9-11-28(5)24-8-7-22-25(26(32)36-6)23(37-38(33,34)35)10-12-29(22)17-30(24,29)14-13-27(21,28)4/h15,19-25,31H,7-14,16-17H2,1-6H3,(H,33,34,35)/p-1/t19-,20+,21+,22+,23+,24+,25+,27-,28+,29-,30+/m1/s1

InChIKey: InChIKey=ZACGVMMBQFJTOT-LCUAWKNSSA-M

Formula: C30H48O7S1

Molecular Weight: 552.765152

Exact Mass: 552.312075

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Horgen, F.D., Sakamoto, B., Scheuer, P.J. J Nat Prod (2000) 63, 210-6

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) 31.1
2 (CH2) 32.4
3 (CH) 80.4
4 (CH) 57.5
5 (CH) 42
6 (CH2) 26.2
7 (CH2) 25.6
8 (CH) 48
9 (C) 25.1
10 (C) 29.8
11 (CH2) 28
12 (CH2) 34.1
13 (C) 46.6
14 (C) 50.1
15 (CH2) 36.3
16 (CH2) 29.1
17 (CH) 54.1
18 (CH3) 18.2
19 (CH2) 27.2
20 (CH) 33.8
21 (CH3) 19
22 (CH2) 45.6
23 (CH) 66.7
24 (CH) 130.5
25 (C) 133.4
26 (CH3) 25.9
27 (CH3) 18.1
28 (C) 175.7
30 (CH3) 19.5
28a (CH3) 52.1