| Properties | Image |
|---|
| MNX_ID | MNXM1189530 |
 |
| reference | envipathM:...a3654094dd02 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | VICBOINVMBYZMS-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-36(50)24(43)11-32(53-17)57-37-18(2)54-33(12-25(37)44)58-38-26(45)13-34(56-28(38)15-42)55-21-8-20-5-6-22-23(39(20,3)29(47)9-21)10-30(48)40(4)35(19-7-31(49)52-16-19)27(46)14-41(22,40)51/h7,15,17-18,20-28,30,32-38,43-46,48,50-51H,5-6,8-14,16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)C(O)CC65O)C4)OC3C=O)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-36(50)24(43)11-32(53-17)57-37-18(2)54-33(12-25(37)44)58-38-26(45)13-34(56-28(38)15-42)55-21-8-20-5-6-22-23(39(20,3)29(47)9-21)10-30(48)40(4)35(19-7-31(49)52-16-19)27(46)14-41(22,40)51/h7,15,17-18,20-28,30,32-38,43-46,48,50-51H,5-6,8-14,16H2,1-4H3/t17?,18?,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][CH:17]1[CH:36]([OH:50])[CH:24]([OH:43])[CH2:11][CH:32]([O:57][CH:37]2[CH:18]([CH3:2])[O:54][CH:33]([O:58][CH:38]3[CH:26]([OH:45])[CH2:13][CH:34]([O:55][CH:21]4[CH2:8][CH:20]5[CH2:5][CH2:6][CH:22]6[CH:23]([CH2:10][CH:30]([OH:48])[C:40]7([CH3:4])[CH:35]([C:19]8=[CH:7][C:31](=[O:49])[O:52][CH2:16]8)[CH:27]([OH:46])[CH2:14][C:41]67[OH:51])[C:39]5([CH3:3])[C:29](=[O:47])[CH2:9]4)[O:56][CH:28]3[CH:15]=[O:42])[CH2:12][CH:25]2[OH:44])[O:53]1 |
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