| Properties | Image |
|---|
| MNX_ID | MNXM1180822 |
 |
| reference | envipathM:...df605cd49e28 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | AHNPFCDBZJFYAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)23(42)10-31(53-17)57-37-19(3)55-32(12-25(37)44)58-36-18(2)54-30(11-24(36)43)56-21-6-7-38(4)22-9-28(47)39(5)33(20-8-29(48)52-16-20)27(46)15-41(39,51)34(22)26(45)14-40(38,50)13-21/h8,17-19,21-23,25-27,30-37,42,44-46,49-51H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(=O)C5(C)C(C6=CC(=O)OC6)C(O)CC5(O)C4C(O)CC3(O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)23(42)10-31(53-17)57-37-19(3)55-32(12-25(37)44)58-36-18(2)54-30(11-24(36)43)56-21-6-7-38(4)22-9-28(47)39(5)33(20-8-29(48)52-16-20)27(46)15-41(39,51)34(22)26(45)14-40(38,50)13-21/h8,17-19,21-23,25-27,30-37,42,44-46,49-51H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,25?,26?,27?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[CH:23]([OH:42])[CH2:10][CH:31]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:32]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:30]([O:56][CH:21]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:22]6[CH2:9][C:28](=[O:47])[C:39]7([CH3:5])[CH:33]([C:20]8=[CH:8][C:29](=[O:48])[O:52][CH2:16]8)[CH:27]([OH:46])[CH2:15][C:41]7([OH:51])[CH:34]6[CH:26]([OH:45])[CH2:14][C:40]5([OH:50])[CH2:13]4)[CH2:11][C:24]3=[O:43])[CH2:12][CH:25]2[OH:44])[O:53]1 |
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