| Properties | Image |
|---|
| MNX_ID | MNXM169523 |
 |
| reference | slm:000500305 |
| formula | C53H88O2 |
| global charge | 0 |
| mol weight | 757.285 |
| InChIKey | ADVYPTSJFINQIY-FQBPEWSBSA-N |
| InChI | InChI=1S/C53H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-51(54)55-46-38-40-52(5)45(42-46)34-35-47-49-37-36-48(44(4)32-30-31-43(2)3)53(49,6)41-39-50(47)52/h11-12,14-15,17-18,20-21,34,43-44,46-50H,7-10,13,16,19,22-33,35-42H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t44-,46+,47+,48-,49+,50+,52+,53-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 |
MNX internals
| InChI (mnx) | InChI=1/C53H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-51(54)55-46-38-40-52(5)45(42-46)34-35-47-49-37-36-48(44(4)32-30-31-43(2)3)53(49,6)41-39-50(47)52/h11-12,14-15,17-18,20-21,34,43-44,46-50H,7-10,13,16,19,22-33,35-42H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t44-,46+,47+,48-,49+,50+,52+,53-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:33][C:51](=[O:54])[O:55][C@H:46]1[CH2:38][CH2:40][C@@:52]2([CH3:5])[C:45](=[CH:34][CH2:35][C@H:47]3[C@@H:49]4[CH2:37][CH2:36][C@H:48]([C@H:44]([CH3:4])[CH2:32][CH2:30][CH2:31][CH:43]([CH3:2])[CH3:3])[C@@:53]4([CH3:6])[CH2:41][CH2:39][C@@H:50]32)[CH2:42]1 |
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