| Properties | Image |
|---|
| MNX_ID | MNXM1173532 |
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| reference | envipathM:...763c6ed0dc8d |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | OZFTXZVBNQBZBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-19-33(47)24(42)13-31(53-19)57-35-21(3)55-32(15-26(35)44)58-34-20(2)54-30(14-25(34)43)56-23-7-9-36(4)22(12-23)6-10-40(50)39(49)11-8-27(38(48)17-29(46)52-18-38)37(39,5)28(45)16-41(36,40)51/h19-27,30-35,42-44,47-51H,6-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5(O)CC(=O)C5(C)C(C7(O)COC(=O)C7)CCC56O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-33(47)24(42)13-31(53-19)57-35-21(3)55-32(15-26(35)44)58-34-20(2)54-30(14-25(34)43)56-23-7-9-36(4)22(12-23)6-10-40(50)39(49)11-8-27(38(48)17-29(46)52-18-38)37(39,5)28(45)16-41(36,40)51/h19-27,30-35,42-44,47-51H,6-18H2,1-5H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:33]([OH:47])[CH:24]([OH:42])[CH2:13][CH:31]([O:57][CH:35]2[CH:21]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:20]([CH3:2])[O:54][CH:30]([O:56][CH:23]4[CH2:7][CH2:9][C:36]5([CH3:4])[CH:22]([CH2:6][CH2:10][C:40]6([OH:50])[C:39]7([OH:49])[CH2:11][CH2:8][CH:27]([C:38]8([OH:48])[CH2:17][C:29](=[O:46])[O:52][CH2:18]8)[C:37]7([CH3:5])[C:28](=[O:45])[CH2:16][C:41]56[OH:51])[CH2:12]4)[CH2:14][CH:25]3[OH:43])[CH2:15][CH:26]2[OH:44])[O:53]1 |
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