| Properties | Image |
|---|
| MNX_ID | MNXM1192028 |
 |
| reference | envipathM:...48a2a63687fe |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | PPHWHFWFTQBKBI-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-35(49)25(43)12-33(53-17)57-37-19(3)55-34(14-27(37)45)58-36-18(2)54-32(13-26(36)44)56-20-8-23-24(42)10-22-21(38(23,4)29(46)9-20)11-30(47)39(5)28(6-7-41(22,39)51)40(50)15-31(48)52-16-40/h17-24,26-28,30,32-37,42,44-45,47,49-51H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C6(O)COC(=O)C6)CCC45O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-35(49)25(43)12-33(53-17)57-37-19(3)55-34(14-27(37)45)58-36-18(2)54-32(13-26(36)44)56-20-8-23-24(42)10-22-21(38(23,4)29(46)9-20)11-30(47)39(5)28(6-7-41(22,39)51)40(50)15-31(48)52-16-40/h17-24,26-28,30,32-37,42,44-45,47,49-51H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[C:25](=[O:43])[CH2:12][CH:33]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:32]([O:56][CH:20]4[CH2:8][CH:23]5[CH:24]([OH:42])[CH2:10][CH:22]6[CH:21]([CH2:11][CH:30]([OH:47])[C:39]7([CH3:5])[CH:28]([C:40]8([OH:50])[CH2:15][C:31](=[O:48])[O:52][CH2:16]8)[CH2:6][CH2:7][C:41]67[OH:51])[C:38]5([CH3:4])[C:29](=[O:46])[CH2:9]4)[CH2:13][CH:26]3[OH:44])[CH2:14][CH:27]2[OH:45])[O:53]1 |
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