| Properties | Image |
|---|
| MNX_ID | MNXM101369 |
 |
| reference | chebi:71006 |
| formula | C43H66O15 |
| global charge | 0 |
| mol weight | 822.986 |
| InChIKey | RNBLZKNCMWHSIG-DXJNJSHLSA-N |
| InChI | InChI=1S/C43H66O15/c1-20-38(49)30(45)16-36(52-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)53-35(17-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(55-23(4)44)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@@H](O[C@H]4C[C@H](O)[C@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O)[C@@H](C)O6)[C@@H](C)O5)[C@@H](C)O4)CC[C@@]32C)[C@@]2(O)CC[C@H](C3=CC(=O)OC3)[C@@]12C |
MNX internals
| InChI (mnx) | InChI=1/C43H66O15/c1-20-38(49)30(45)16-36(52-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)53-35(17-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(55-23(4)44)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:20]1[C@@H:38]([OH:49])[C@@H:30]([OH:45])[CH2:16][C@H:36]([O:57][C@@H:40]2[C@@H:22]([CH3:3])[O:54][C@@H:37]([O:58][C@@H:39]3[C@@H:21]([CH3:2])[O:53][C@@H:35]([O:56][C@H:26]4[CH2:9][CH2:11][C@@:41]5([CH3:5])[C@H:25]([CH2:7][CH2:8][C@@H:28]6[C@@H:29]5[CH2:15][C@@H:33]([O:55][C:23]([CH3:4])=[O:44])[C@:42]5([CH3:6])[C@@H:27]([C:24]7=[CH:13][C:34](=[O:48])[O:51][CH2:19]7)[CH2:10][CH2:12][C@:43]65[OH:50])[CH2:14]4)[CH2:17][C@@H:31]3[OH:46])[CH2:18][C@@H:32]2[OH:47])[O:52]1 |
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