| Properties | Image |
|---|
| MNX_ID | MNXM107422 |
 |
| reference | chebi:69311 |
| formula | C42H72O14 |
| global charge | 0 |
| mol weight | 801.024 |
| InChIKey | JVYPBKOZNREJQJ-QKNOUBBRSA-N |
| InChI | InChI=1S/C42H72O14/c1-37(2)24-11-15-40(6)25(10-9-20-28(21(45)17-41(20,40)7)42(8)16-13-27(56-42)38(3,4)51)39(24,5)14-12-26(37)54-36-34(32(49)30(47)23(19-44)53-36)55-35-33(50)31(48)29(46)22(18-43)52-35/h20-36,43-51H,9-19H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,39+,40-,41-,42+/m1/s1 |
| SMILES | CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2[C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C42H72O14/c1-37(2)24-11-15-40(6)25(10-9-20-28(21(45)17-41(20,40)7)42(8)16-13-27(56-42)38(3,4)51)39(24,5)14-12-26(37)54-36-34(32(49)30(47)23(19-44)53-36)55-35-33(50)31(48)29(46)22(18-43)52-35/h20-36,43-51H,9-19H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,39+,40-,41-,42+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:37]1([CH3:2])[C@@H:24]2[CH2:11][CH2:15][C@:40]3([CH3:6])[C@H:25]([CH2:10][CH2:9][C@@H:20]4[C@@H:28]([C@:42]5([CH3:8])[CH2:16][CH2:13][C@@H:27]([C:38]([CH3:3])([CH3:4])[OH:51])[O:56]5)[C@H:21]([OH:45])[CH2:17][C@:41]43[CH3:7])[C@@:39]2([CH3:5])[CH2:14][CH2:12][C@@H:26]1[O:54][C@H:36]1[C@H:34]([O:55][C@H:35]2[C@H:33]([OH:50])[C@@H:31]([OH:48])[C@H:29]([OH:46])[C@@H:22]([CH2:18][OH:43])[O:52]2)[C@@H:32]([OH:49])[C@H:30]([OH:47])[C@@H:23]([CH2:19][OH:44])[O:53]1 |
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