| Properties | Image |
|---|
| MNX_ID | MNXM1139033 |
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| reference | envipathM:...b7d8466f4b91 |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | UQAMPLHPXZVYPN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-18(42)35-25(13-30(47)40(6)24(8-10-41(35,40)50)22-11-31(48)51-17-22)39(5)9-7-23(12-29(39)46)55-32-15-27(44)37(20(3)53-32)57-34-16-28(45)38(21(4)54-34)56-33-14-26(43)36(49)19(2)52-33/h19-28,30,32-38,43-45,47,49-50H,7-17H2,1-6H3 |
| SMILES | CC(=O)C1C(C2(C)CCC(OC3CC(O)C(OC4CC(O)C(OC5CC(O)C(O)C(C)O5)C(C)O4)C(C)O3)CC2=O)CC(O)C2(C)C(C3COC(=O)C3)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-18(42)35-25(13-30(47)40(6)24(8-10-41(35,40)50)22-11-31(48)51-17-22)39(5)9-7-23(12-29(39)46)55-32-15-27(44)37(20(3)53-32)57-34-16-28(45)38(21(4)54-34)56-33-14-26(43)36(49)19(2)52-33/h19-28,30,32-38,43-45,47,49-50H,7-17H2,1-6H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][C:18]([CH:35]1[CH:25]([C:39]2([CH3:5])[CH2:9][CH2:7][CH:23]([O:55][CH:32]3[CH2:15][CH:27]([OH:44])[CH:37]([O:57][CH:34]4[CH2:16][CH:28]([OH:45])[CH:38]([O:56][CH:33]5[CH2:14][CH:26]([OH:43])[CH:36]([OH:49])[CH:19]([CH3:2])[O:52]5)[CH:21]([CH3:4])[O:54]4)[CH:20]([CH3:3])[O:53]3)[CH2:12][C:29]2=[O:46])[CH2:13][CH:30]([OH:47])[C:40]2([CH3:6])[CH:24]([CH:22]3[CH2:11][C:31](=[O:48])[O:51][CH2:17]3)[CH2:8][CH2:10][C:41]12[OH:50])=[O:42] |
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