| Properties | Image |
|---|
| MNX_ID | MNXM1100801 |
 |
| reference | metacycM:CPD-17195 |
| formula | C27H35NO3 |
| global charge | 0 |
| mol weight | 421.581 |
| InChIKey | ZUYOYPXENZYYBN-DAJHMGNKSA-N |
| InChI | InChI=1S/C27H35NO3/c1-24(2,29)21-14-22-27(31-22)19-10-9-15-13-17-16-7-5-6-8-18(16)28-23(17)26(15,4)25(19,3)12-11-20(27)30-21/h5-8,15,19-22,28-29H,9-14H2,1-4H3/t15-,19?,20-,21-,22?,25-,26+,27?/m0/s1 |
| SMILES | CC(C)(O)[C@@H]1CC2OC23C2CC[C@H]4CC5=C(NC6=C5C=CC=C6)[C@]4(C)[C@@]2(C)CC[C@@H]3O1 |
MNX internals
| InChI (mnx) | InChI=1/C27H35NO3/c1-24(2,29)21-14-22-27(31-22)19-10-9-15-13-17-16-7-5-6-8-18(16)28-23(17)26(15,4)25(19,3)12-11-20(27)30-21/h5-8,15,19-22,28-29H,9-14H2,1-4H3/t15-,19?,20-,21-,22?,25-,26+,27?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]([CH3:2])([C@@H:21]1[CH2:14][CH:22]2[C:27]3([CH:19]4[CH2:10][CH2:9][C@H:15]5[CH2:13][C:17]6=[C:23]([C@:26]5([CH3:4])[C@@:25]4([CH3:3])[CH2:12][CH2:11][C@@H:20]3[O:30]1)[NH:28][C:18]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:16]61)[O:31]2)[OH:29] |
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