| Properties | Image |
|---|
| MNX_ID | MNXM1170968 |
 |
| reference | envipathM:...3e0c07cf1b18 |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | JNTBWHHMMBPTHZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-18-37(56-33-15-28(46)38(19(2)53-33)57-34-13-26(44)36(49)29(16-42)55-34)27(45)14-32(52-18)54-22-5-7-39(3)21(10-22)11-25(43)35-24(39)12-30(47)40(4)23(6-8-41(35,40)50)20-9-31(48)51-17-20/h18-25,27-30,32-38,42-43,45-47,49-50H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2C3CC(O)C3(C)C(C4COC(=O)C4)CCC23O)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-18-37(56-33-15-28(46)38(19(2)53-33)57-34-13-26(44)36(49)29(16-42)55-34)27(45)14-32(52-18)54-22-5-7-39(3)21(10-22)11-25(43)35-24(39)12-30(47)40(4)23(6-8-41(35,40)50)20-9-31(48)51-17-20/h18-25,27-30,32-38,42-43,45-47,49-50H,5-17H2,1-4H3/t18?,19?,20?,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:37]([O:56][CH:33]2[CH2:15][CH:28]([OH:46])[CH:38]([O:57][CH:34]3[CH2:13][C:26](=[O:44])[CH:36]([OH:49])[CH:29]([CH2:16][OH:42])[O:55]3)[CH:19]([CH3:2])[O:53]2)[CH:27]([OH:45])[CH2:14][CH:32]([O:54][CH:22]2[CH2:5][CH2:7][C:39]3([CH3:3])[CH:21]([CH2:10]2)[CH2:11][CH:25]([OH:43])[CH:35]2[CH:24]3[CH2:12][CH:30]([OH:47])[C:40]3([CH3:4])[CH:23]([CH:20]4[CH2:9][C:31](=[O:48])[O:51][CH2:17]4)[CH2:6][CH2:8][C:41]23[OH:50])[O:52]1 |
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