| Properties | Image |
|---|
| MNX_ID | MNXM26296 |
 |
| reference | chebi:196988 |
| formula | C39H62O12 |
| global charge | 0 |
| mol weight | 722.913 |
| InChIKey | HDXIQHTUNGFJIC-FOAHKCLGSA-N |
| InChI | InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1 |
| SMILES | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:8][CH2:13][C@@:39]2([C@@H:19]([CH3:2])[C@H:28]3[C@H:26]([CH2:15][C@H:25]4[C@@H:23]5[CH2:7][CH:6]=[C:21]6[CH2:14][C@@H:22]([O:48][C@H:36]7[C@H:34]([O:50][C@H:35]8[C@H:33]([OH:45])[C@H:31]([OH:43])[C@@H:29]([OH:41])[C@H:20]([CH3:3])[O:47]8)[C@@H:32]([OH:44])[C@H:30]([OH:42])[C@@H:27]([CH2:16][OH:40])[O:49]7)[CH2:9][CH2:11][C@:37]6([CH3:4])[C@H:24]5[CH2:10][CH2:12][C@@:38]43[CH3:5])[O:51]2)[O:46][CH2:17]1 |
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