| Properties | Image |
|---|
| MNX_ID | MNXM1175498 |
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| reference | envipathM:...508d798416c2 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | AUUVOFRREZXGSM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-36(57-33-14-27(46)37(19(2)54-33)58-34-12-25(44)35(49)28(16-42)56-34)26(45)13-32(53-18)55-21-5-7-38(3)23(10-21)24(43)11-29-40(50)8-6-22(20-9-31(48)52-17-20)39(40,4)30(47)15-41(29,38)51/h9,16,18-19,21-25,27-30,32-37,43-44,46-47,49-51H,5-8,10-15,17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3(O)CC(O)C3(C)C(C4=CC(=O)OC4)CCC23O)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-36(57-33-14-27(46)37(19(2)54-33)58-34-12-25(44)35(49)28(16-42)56-34)26(45)13-32(53-18)55-21-5-7-38(3)23(10-21)24(43)11-29-40(50)8-6-22(20-9-31(48)52-17-20)39(40,4)30(47)15-41(29,38)51/h9,16,18-19,21-25,27-30,32-37,43-44,46-47,49-51H,5-8,10-15,17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:33]2[CH2:14][CH:27]([OH:46])[CH:37]([O:58][CH:34]3[CH2:12][CH:25]([OH:44])[CH:35]([OH:49])[CH:28]([CH:16]=[O:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[C:26](=[O:45])[CH2:13][CH:32]([O:55][CH:21]2[CH2:5][CH2:7][C:38]3([CH3:3])[CH:23]([CH2:10]2)[CH:24]([OH:43])[CH2:11][CH:29]2[C:40]4([OH:50])[CH2:8][CH2:6][CH:22]([C:20]5=[CH:9][C:31](=[O:48])[O:52][CH2:17]5)[C:39]4([CH3:4])[CH:30]([OH:47])[CH2:15][C:41]23[OH:51])[O:53]1 |
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