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)
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 |