| Properties | Image |
|---|
| MNX_ID | MNXM1170264 |
 |
| reference | envipathM:...36304de2e39e |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | KMFWKMSFCOVXHF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-34(48)25(42)13-32(53-18)57-36-20(3)55-33(15-27(36)44)58-35-19(2)54-31(14-26(35)43)56-23-11-22-6-8-40(50)39(49)9-7-24(21-10-30(47)52-17-21)38(39,5)29(46)16-41(40,51)37(22,4)28(45)12-23/h10,18-20,22-24,26,28-29,31-36,43,45-46,48-51H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6(O)C5(O)CC(O)C5(C)C(C7=CC(=O)OC7)CCC56O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-34(48)25(42)13-32(53-18)57-36-20(3)55-33(15-27(36)44)58-35-19(2)54-31(14-26(35)43)56-23-11-22-6-8-40(50)39(49)9-7-24(21-10-30(47)52-17-21)38(39,5)29(46)16-41(40,51)37(22,4)28(45)12-23/h10,18-20,22-24,26,28-29,31-36,43,45-46,48-51H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,26?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[C:25](=[O:42])[CH2:13][CH:32]([O:57][CH:36]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:11][CH:22]5[CH2:6][CH2:8][C:40]6([OH:50])[C:39]7([OH:49])[CH2:9][CH2:7][CH:24]([C:21]8=[CH:10][C:30](=[O:47])[O:52][CH2:17]8)[C:38]7([CH3:5])[CH:29]([OH:46])[CH2:16][C:41]6([OH:51])[C:37]5([CH3:4])[CH:28]([OH:45])[CH2:12]4)[CH2:14][CH:26]3[OH:43])[CH2:15][C:27]2=[O:44])[O:53]1 |
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