| Properties | Image |
|---|
| MNX_ID | MNXM104060 |
 |
| reference | chebi:67175 |
| formula | C30H34N2O5 |
| global charge | 0 |
| mol weight | 502.611 |
| InChIKey | VSVYWUPPYDXESC-OMXDIREYSA-N |
| InChI | InChI=1S/C30H34N2O5/c1-27-8-6-19-13-21-25(34)26(35)22(32(2)3)15-28(21)9-10-29(19,37-28)23(27)14-24(33)30(27,36)20-5-4-17-7-11-31-16-18(17)12-20/h4-7,11-13,16,22-23,25-26,34-36H,8-10,14-15H2,1-3H3/t22-,23+,25+,26+,27-,28+,29+,30+/m0/s1 |
| SMILES | CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@@]2(C)[C@H]4CC(=O)[C@]2(O)C2=CC=C4C=CN=CC4=C2)C=C3[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H34N2O5/c1-27-8-6-19-13-21-25(34)26(35)22(32(2)3)15-28(21)9-10-29(19,37-28)23(27)14-24(33)30(27,36)20-5-4-17-7-11-31-16-18(17)12-20/h4-7,11-13,16,22-23,25-26,34-36H,8-10,14-15H2,1-3H3/t22-,23+,25+,26+,27-,28+,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:27]12[CH2:8][CH:6]=[C:19]3[CH:13]=[C:21]4[C@@H:25]([OH:34])[C@H:26]([OH:35])[C@@H:22]([N:32]([CH3:2])[CH3:3])[CH2:15][C@:28]45[CH2:9][CH2:10][C@@:29]3([C@@H:23]1[CH2:14][C:24](=[O:33])[C@@:30]2([C:20]1=[CH:12][C:18]2=[CH:16][N:31]=[CH:11][CH:7]=[C:17]2[CH:4]=[CH:5]1)[OH:36])[O:37]5 |
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