| Properties | Image |
|---|
| MNX_ID | MNXM103454 |
 |
| reference | chebi:65564 |
| formula | C27H36Br2O3 |
| global charge | 0 |
| mol weight | 568.39 |
| InChIKey | JGBUIUFDBKKZNT-WBNSUDINSA-N |
| InChI | InChI=1S/C27H36Br2O3/c1-16(2)7-6-11-27(5)22-9-8-17(3)20(26(22,4)12-10-23(27)29)14-18-13-19(25(31)32)15-21(28)24(18)30/h7,13,15,20,22-23,30H,3,6,8-12,14H2,1-2,4-5H3,(H,31,32)/t20-,22+,23-,26+,27-/m1/s1 |
| SMILES | C=C1CC[C@@H]2[C@@](C)(CCC=C(C)C)[C@H](Br)CC[C@@]2(C)[C@@H]1CC1=CC(C(=O)O)=CC(Br)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C27H36Br2O3/c1-16(2)7-6-11-27(5)22-9-8-17(3)20(26(22,4)12-10-23(27)29)14-18-13-19(25(31)32)15-21(28)24(18)30/h7,13,15,20,22-23,30H,3,6,8-12,14H2,1-2,4-5H3,(H,31,32)/t20-,22+,23-,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16]([CH3:2])=[CH:7][CH2:6][CH2:11][C@:27]1([CH3:5])[C@H:22]2[CH2:9][CH2:8][C:17](=[CH2:3])[C@@H:20]([CH2:14][C:18]3=[CH:13][C:19]([C:25](=[O:31])[OH:32])=[CH:15][C:21]([Br:28])=[C:24]3[OH:30])[C@:26]2([CH3:4])[CH2:12][CH2:10][C@H:23]1[Br:29] |
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