| Properties | Image |
|---|
| MNX_ID | MNXM1100347 |
 |
| reference | keggC:C20595 |
| formula | C42H57NO5 |
| global charge | 0 |
| mol weight | 655.92 |
| InChIKey | HXQRMKPANJZAHF-GYGPEUFLSA-N |
| InChI | InChI=1S/C42H57NO5/c1-23(2)11-13-26-14-16-30-33(28(26)15-12-24(3)4)29-22-27-17-20-41(44)39(9,40(27,10)35(29)43-30)19-18-31-42(41)37(48-42)34-36(45-31)38(7,8)47-32(46-34)21-25(5)6/h11-12,14,16,21,27,31-32,34,36-37,43-44H,13,15,17-20,22H2,1-10H3/t27-,31-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1 |
| SMILES | CC(C)=CCC1=CC=C2NC3=C(C[C@@H]4CC[C@@]5(O)[C@@]67O[C@@H]6[C@@H]6O[C@H](C=C(C)C)OC(C)(C)[C@H]6O[C@H]7CC[C@]5(C)[C@@]34C)C2=C1CC=C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C42H57NO5/c1-23(2)11-13-26-14-16-30-33(28(26)15-12-24(3)4)29-22-27-17-20-41(44)39(9,40(27,10)35(29)43-30)19-18-31-42(41)37(48-42)34-36(45-31)38(7,8)47-32(46-34)21-25(5)6/h11-12,14,16,21,27,31-32,34,36-37,43-44H,13,15,17-20,22H2,1-10H3/t27-,31-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:23]([CH3:2])=[CH:11][CH2:13][C:26]1=[C:28]([CH2:15][CH:12]=[C:24]([CH3:3])[CH3:4])[C:33]2=[C:30]([CH:16]=[CH:14]1)[NH:43][C:35]1=[C:29]2[CH2:22][C@@H:27]2[CH2:17][CH2:20][C@:41]3([OH:44])[C@:39]([CH3:9])([CH2:19][CH2:18][C@H:31]4[C@:42]35[C@@H:37]([C@H:34]3[C@@H:36]([C:38]([CH3:7])([CH3:8])[O:47][C@@H:32]([CH:21]=[C:25]([CH3:5])[CH3:6])[O:46]3)[O:45]4)[O:48]5)[C@:40]21[CH3:10] |
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