| SpectraBase Spectrum ID |
Jwcpun1UY7b |
| Name |
Acetic acid 4-[(benzylmethylamino)methylene]-6-hydroxy-1.alpha.-methoxymethyl-10.beta.,13.beta.-dimethyl-3,7,17-trioxo-1,3,4,7,10,11.beta.,12,13,14.alpha.,15,16,17-dodecahydro-2-oxa-cyclopenta[a]phenanthren-11-yl ester |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H35NO8 |
| InChI |
InChI=1S/C31H35NO8/c1-17(33)39-21-13-30(2)20(11-12-22(30)34)24-26(21)31(3)23(16-38-5)40-29(37)19(25(31)28(36)27(24)35)15-32(4)14-18-9-7-6-8-10-18/h6-10,15,20-21,23,36H,11-14,16H2,1-5H3/b19-15-/t20-,21+,23+,30-,31-/m0/s1 |
| InChIKey |
CUTPRYZQNIVOMI-WBNUTONVSA-N |
| Ionization Type |
EI |
| Molecular Weight |
549.620 g/mol |
| Optical Rotation |
[a]D = -835 (c = 0.0014, CH2Cl2, 23oC) |
| SMILES |
OC=1C(C2=C([C@]3([C@](OC(\C(C13)=C/N(Cc1ccccc1)C)=O)(COC)[H])C)[C@@](C[C@]1([C@]2(CCC1=O)[H])C)(OC(=O)C)[H])=O |
| SPLASH |
splash10-0006-9200410000-69881f5f19dd3fed375c |
| Source of Spectrum |
EP1914230B1 |
| Wiley ID |
1841758 |
![Acetic acid 4-[(benzylmethylamino)methylene]-6-hydroxy-1.alpha.-methoxymethyl-10.beta.,13.beta.-dimethyl-3,7,17-trioxo-1,3,4,7,10,11.beta.,12,13,14.alpha.,15,16,17-dodecahydro-2-oxa-cyclopenta[a]phenanthren-11-yl ester](/api/spectrum/Jwcpun1UY7b/structure.png?h=300&w=458 "Acetic acid 4-[(benzylmethylamino)methylene]-6-hydroxy-1.alpha.-methoxymethyl-10.beta.,13.beta.-dimethyl-3,7,17-trioxo-1,3,4,7,10,11.beta.,12,13,14.alpha.,15,16,17-dodecahydro-2-oxa-cyclopenta[a]phenanthren-11-yl ester")
