| Properties | Image |
|---|
| MNX_ID | MNXM1195198 |
 |
| reference | envipathM:...c9b9f581ed86 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | IHVKSUJMRAZWOU-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-35(49)23(43)11-32(53-18)58-37-25(45)13-33(56-27(37)16-42)57-36-19(2)54-31(12-24(36)44)55-22-7-8-38(3)21(10-22)5-6-28-40(38,50)15-29(47)39(4)34(20-9-30(48)52-17-20)26(46)14-41(28,39)51/h9,18-19,21-23,25,27-29,31-37,42-43,45,47,49-51H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3(O)CC(O)C3(C)C(C5=CC(=O)OC5)C(=O)CC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-35(49)23(43)11-32(53-18)58-37-25(45)13-33(56-27(37)16-42)57-36-19(2)54-31(12-24(36)44)55-22-7-8-38(3)21(10-22)5-6-28-40(38,50)15-29(47)39(4)34(20-9-30(48)52-17-20)26(46)14-41(28,39)51/h9,18-19,21-23,25,27-29,31-37,42-43,45,47,49-51H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,25?,27?,28?,29?,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:49])[CH:23]([OH:43])[CH2:11][CH:32]([O:58][CH:37]2[CH:25]([OH:45])[CH2:13][CH:33]([O:57][CH:36]3[CH:19]([CH3:2])[O:54][CH:31]([O:55][CH:22]4[CH2:7][CH2:8][C:38]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:28]6[C:40]5([OH:50])[CH2:15][CH:29]([OH:47])[C:39]5([CH3:4])[CH:34]([C:20]7=[CH:9][C:30](=[O:48])[O:52][CH2:17]7)[C:26](=[O:46])[CH2:14][C:41]65[OH:51])[CH2:10]4)[CH2:12][C:24]3=[O:44])[O:56][CH:27]2[CH2:16][OH:42])[O:53]1 |
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