| Properties | Image |
|---|
| MNX_ID | MNXM33801 |
 |
| reference | chebi:80717 |
| formula | C32H46Br2O10 |
| global charge | 0 |
| mol weight | 750.518 |
| InChIKey | PIULICRFTROOFA-IPNHEGHDSA-N |
| InChI | InChI=1S/C32H46Br2O10/c1-16(8-9-24(40-7)20-10-23(36)22(34)11-21(20)33)29-18(3)26-14-32(43-29)30(5,6)13-17(2)31(39,44-32)15-28(38)41-25(19(4)35)12-27(37)42-26/h10-11,16-19,24-26,29,35-36,39H,8-9,12-15H2,1-7H3/t16-,17+,18-,19+,24-,25+,26?,29+,31-,32-/m0/s1 |
| SMILES | CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23CC(OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)C1=C(Br)C=C(Br)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H46Br2O10/c1-16(8-9-24(40-7)20-10-23(36)22(34)11-21(20)33)29-18(3)26-14-32(43-29)30(5,6)13-17(2)31(39,44-32)15-28(38)41-25(19(4)35)12-27(37)42-26/h10-11,16-19,24-26,29,35-36,39H,8-9,12-15H2,1-7H3/t16-,17+,18-,19+,24-,25+,26?,29+,31-,32-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:16]([CH2:8][CH2:9][C@@H:24]([C:20]1=[CH:10][C:23]([OH:36])=[C:22]([Br:34])[CH:11]=[C:21]1[Br:33])[O:40][CH3:7])[C@@H:29]1[C@@H:18]([CH3:3])[CH:26]2[CH2:14][C@:32]3([C:30]([CH3:5])([CH3:6])[CH2:13][C@@H:17]([CH3:2])[C@:31]([OH:39])([CH2:15][C:28](=[O:38])[O:41][C@@H:25]([C@@H:19]([CH3:4])[OH:35])[CH2:12][C:27](=[O:37])[O:42]2)[O:44]3)[O:43]1 |
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