| Properties | Image |
|---|
| MNX_ID | MNXM42587 |
 |
| reference | chebi:2822 |
| formula | C38H61NO8 |
| global charge | 0 |
| mol weight | 659.905 |
| InChIKey | VRFWJSCLROXBBW-FUHHSGJXSA-N |
| InChI | InChI=1S/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24+,25-,26+,27-,28+,29+,30+,31-,35-,36+,37+,38-/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24+,25-,26+,27-,28+,29+,30+,31-,35-,36+,37+,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21](=[N:39][C@@H:28]1[C@@H:30]([OH:43])[C@H:29]([OH:42])[C@@H:24]([CH2:20][OH:40])[O:46][C@H:31]1[O:47][C@H:27]1[CH2:12][CH2:13][C@@:35]2([CH3:6])[C@@H:25]([CH2:11][CH2:14][C@:37]3([CH3:8])[C@@H:26]2[CH2:10][CH:9]=[C:22]2[C@@H:23]4[CH2:19][C:33]([CH3:2])([CH3:3])[CH2:15][CH2:17][C@:38]4([C:32](=[O:44])[OH:45])[CH2:18][CH2:16][C@:36]23[CH3:7])[C:34]1([CH3:4])[CH3:5])[OH:41] |
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