Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C51H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h35-44,46-49,53-55H,8-34H2,1-7H3/t36-,37-,38+,39+,40+,41-,42+,43+,44-,46-,47+,48-,49-,50+,51-/m1/s1

InChIKey: InChIKey=AUTOQVDCZWHPBZ-BSJDOCQQSA-N

Formula: C51H92O7

Molecular Weight: 817.273915

Exact Mass: 816.684305

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lavaud, C., Massiot, G., Barrera, J.B., Moretti, C., Lemenolivier, L. Phytochemistry (1994) 37, 1671-6

Species:

Notes: Family : Steroids, Type : Stigmastanes; 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) 37.3
2 (CH2) 31.7
3 (CH) 79.5
4 (CH2) 42.2
5 (CH) 140.3
6 (CH2) 122.1
7 (CH2) 31.7
8 (CH) 31.9
9 (CH) 50.2
10 (C) 36.7
11 (CH2) 22.7
12 (CH2) 38.9
13 (C) 39.7
14 (CH) 56.7
15 (CH2) 24.4
16 (CH2) 28.9
17 (CH) 56
18 (CH3) 12.2
19 (CH3) 19
20 (CH) 40.5
21 (CH3) 21.2
22 (CH2) 138.8
23 (CH2) 129.3
24 (CH) 51.2
25 (CH) 31.9
26 (CH3) 21.1
27 (CH3) 19.3
1' (CH) 101.2
2' (CH) 74
3' (CH) 76
4' (CH) 70.1
5' (CH) 73.6
6' (CH2) 63.2
24a (CH2) 25.4
24b (CH3) 12
6'a (C) 174.6
6'b (CH2) 34.2
6'c (CH2) 24.9
6'd (CH2) 29.3
6'e (CH2) 29.3
6'f (CH2) 29.3
6'g (CH2) 29.3
6'h (CH2) 29.3
6'i (CH2) 29.3
6'j (CH2) 29.3
6'k (CH2) 29.3
6'l (CH2) 29.3
6'm (CH2) 29.3
6'n (CH2) 31.9
6'o (CH2) 27.2
6'p (CH3) 14.1