| SpectraBase Spectrum ID |
HevQy1qIXnH |
| Name |
3,14-Dihydroxy-12-acetoxy-11-cinnamoyloxypregnan-20-one |
| Alternate Name(s) |
(8R,9S,10S,13S,17S)-12-acetoxy-17-acetyl-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-11-yl cinnamate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H42O7 |
| InChI |
InChI=1S/C32H42O7/c1-19(33)24-15-17-32(37)25-12-11-22-18-23(35)14-16-30(22,3)27(25)28(29(31(24,32)4)38-20(2)34)39-26(36)13-10-21-8-6-5-7-9-21/h5-10,13,22-25,27-29,35,37H,11-12,14-18H2,1-4H3/b13-10+/t22?,23?,24-,25-,27-,28?,29?,30+,31+,32?/m1/s1 |
| InChIKey |
AAHUGUDHVQKKSK-XBJYTCDVSA-N |
| Molecular Weight |
538.681 g/mol |
| SMILES |
OC12CC[C@@]([C@]1(C(C([C@@]1([C@]3(CCC(CC3CC[C@@]21[H])O)C)[H])OC(\C=C\c1ccccc1)=O)OC(=O)C)C)(C(C)=O)[H] |
| SPLASH |
splash10-053r-8902000000-9d519d7d436d85db35a6 |
| Source of Spectrum |
JX-2015-6-8514 |
| Wiley ID |
1729964 |
