| Properties | Image |
|---|
| MNX_ID | MNXM1180477 |
 |
| reference | envipathM:...ccf113a0f555 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | PQYTXGHKLLNAEJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-17-35(48)27(43)14-33(51-17)56-37-19(3)53-34(16-29(37)45)57-36-18(2)52-32(15-28(36)44)54-20-6-8-39(4)23-13-30(46)40(5)22(21-11-31(47)55-38(21)49)7-9-41(40,50)24(23)12-26(42)25(39)10-20/h11,17-20,22-26,28,30,32-37,42,44,46,48,50H,6-10,12-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C6=CC(=O)OC6=O)CCC45O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-17-35(48)27(43)14-33(51-17)56-37-19(3)53-34(16-29(37)45)57-36-18(2)52-32(15-28(36)44)54-20-6-8-39(4)23-13-30(46)40(5)22(21-11-31(47)55-38(21)49)7-9-41(40,50)24(23)12-26(42)25(39)10-20/h11,17-20,22-26,28,30,32-37,42,44,46,48,50H,6-10,12-16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,25?,26?,28?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:48])[C:27](=[O:43])[CH2:14][CH:33]([O:56][CH:37]2[CH:19]([CH3:3])[O:53][CH:34]([O:57][CH:36]3[CH:18]([CH3:2])[O:52][CH:32]([O:54][CH:20]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:23]6[CH2:13][CH:30]([OH:46])[C:40]7([CH3:5])[CH:22]([C:21]8=[CH:11][C:31](=[O:47])[O:55][C:38]8=[O:49])[CH2:7][CH2:9][C:41]7([OH:50])[CH:24]6[CH2:12][CH:26]([OH:42])[CH:25]5[CH2:10]4)[CH2:15][CH:28]3[OH:44])[CH2:16][C:29]2=[O:45])[O:51]1 |
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