(2α,3β,15β,25R)-Spirost-5-en-2,3,15-triol

(2α,3β,15β,25R)-Spirost-5-en-2,3,15-triol

Common Name: (2α,3β,15β,25R)-Spirost-5-en-2,3,15-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H42O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m1/s1

InChIKey: InChIKey=AYTPZAKEQCOHRO-RRSTUIPCSA-N

Formula: C27H42O5

Molecular Weight: 446.620406

Exact Mass: 446.303224

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Mimaki, Y., Watanabe, K., Ando, Y., Sakuma, C., Sashida, Y., Furuya, S., Sakagami, H. J Nat Prod (2001) 64, 17-22

Species:

Notes: Family : Steroids, Type : Spirostanes; 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) 46.7
2 (CH) 72.7
3 (CH) 76.9
4 (CH2) 41
5 (C) 141.5
6 (CH) 121.4
7 (CH2) 31.7
8 (CH) 27.6
9 (CH) 50.8
10 (C) 38.8
11 (CH2) 21.6
12 (CH2) 42.4
13 (C) 40.7
14 (CH) 60.7
15 (CH) 70.1
16 (CH) 83.6
17 (CH) 62
18 (CH3) 19
19 (CH3) 20.6
20 (CH) 42.9
21 (CH3) 14.7
22 (C) 110.1
23 (CH2) 31.5
24 (CH2) 29.2
25 (CH) 30.6
26 (CH2) 67.2
27 (CH3) 17.4