| Properties | Image |
|---|
| MNX_ID | MNXM728796 |
 |
| reference | chebi:74026 |
| formula | C45H74O17 |
| global charge | 0 |
| mol weight | 887.07 |
| InChIKey | HTURSHLCTQHPMM-ZGXDEBHDSA-N |
| InChI | InChI=1S/C45H74O17/c1-19(17-46)9-14-45(55)20(2)30-28(62-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)58-42-39(61-41-36(53)34(51)32(49)22(4)57-41)37(54)38(29(18-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h7,19-22,24-42,46-55H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| SMILES | C[C@@H](CO)CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[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]2[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C45H74O17/c1-19(17-46)9-14-45(55)20(2)30-28(62-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)58-42-39(61-41-36(53)34(51)32(49)22(4)57-41)37(54)38(29(18-47)59-42)60-40-35(52)33(50)31(48)21(3)56-40/h7,19-22,24-42,46-55H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:19]([CH2:9][CH2:14][C@:45]1([OH:55])[C@@H:20]([CH3:2])[C@H:30]2[C@H:28]([CH2:16][C@H:27]3[C@@H:25]4[CH2:8][CH:7]=[C:23]5[CH2:15][C@@H:24]([O:58][C@H:42]6[C@H:39]([O:61][C@H:41]7[C@H:36]([OH:53])[C@H:34]([OH:51])[C@@H:32]([OH:49])[C@H:22]([CH3:4])[O:57]7)[C@@H:37]([OH:54])[C@H:38]([O:60][C@H:40]7[C@H:35]([OH:52])[C@H:33]([OH:50])[C@@H:31]([OH:48])[C@H:21]([CH3:3])[O:56]7)[C@@H:29]([CH2:18][OH:47])[O:59]6)[CH2:10][CH2:12][C@:43]5([CH3:5])[C@H:26]4[CH2:11][CH2:13][C@@:44]32[CH3:6])[O:62]1)[CH2:17][OH:46] |
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