| Properties | Image |
|---|
| MNX_ID | MNXM1173482 |
 |
| reference | envipathM:...cf729636fcfb |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | UDCAFAAPXCGELN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-18-35(48)24(42)12-32(52-18)56-37-20(3)54-33(14-26(37)44)57-36-19(2)53-31(13-25(36)43)55-23-7-8-38(4)22(11-23)6-9-40(49)28(38)15-29(46)39(5)34(21-10-30(47)51-17-21)27(45)16-41(39,40)50/h18-23,25-28,31-37,43-45,48-50H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(=O)C5(C)C(C7COC(=O)C7)C(O)CC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-35(48)24(42)12-32(52-18)56-37-20(3)54-33(14-26(37)44)57-36-19(2)53-31(13-25(36)43)55-23-7-8-38(4)22(11-23)6-9-40(49)28(38)15-29(46)39(5)34(21-10-30(47)51-17-21)27(45)16-41(39,40)50/h18-23,25-28,31-37,43-45,48-50H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:48])[C:24](=[O:42])[CH2:12][CH:32]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:33]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:31]([O:55][CH:23]4[CH2:7][CH2:8][C:38]5([CH3:4])[CH:22]([CH2:6][CH2:9][C:40]6([OH:49])[CH:28]5[CH2:15][C:29](=[O:46])[C:39]5([CH3:5])[CH:34]([CH:21]7[CH2:10][C:30](=[O:47])[O:51][CH2:17]7)[CH:27]([OH:45])[CH2:16][C:41]56[OH:50])[CH2:11]4)[CH2:13][CH:25]3[OH:43])[CH2:14][CH:26]2[OH:44])[O:52]1 |
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