| Properties | Image |
|---|
| MNX_ID | MNXM1138133 |
 |
| reference | envipathM:...ea0218480e30 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | ZLPYYPKEYYKHSN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-18-37(56-34-15-29(46)38(19(2)53-34)57-35-13-27(44)36(49)30(16-42)55-35)28(45)14-33(52-18)54-21-5-7-39(3)23-12-31(47)40(4)22(20-9-32(48)51-17-20)6-8-41(40,50)24(23)11-26(43)25(39)10-21/h9,18-19,21-25,27-31,33-38,42,44-47,49-50H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(=O)CC2C3CC(O)C3(C)C(C4=CC(=O)OC4)CCC23O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-37(56-34-15-29(46)38(19(2)53-34)57-35-13-27(44)36(49)30(16-42)55-35)28(45)14-33(52-18)54-21-5-7-39(3)23-12-31(47)40(4)22(20-9-32(48)51-17-20)6-8-41(40,50)24(23)11-26(43)25(39)10-21/h9,18-19,21-25,27-31,33-38,42,44-47,49-50H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([O:56][CH:34]2[CH2:15][CH:29]([OH:46])[CH:38]([O:57][CH:35]3[CH2:13][CH:27]([OH:44])[CH:36]([OH:49])[CH:30]([CH2:16][OH:42])[O:55]3)[CH:19]([CH3:2])[O:53]2)[CH:28]([OH:45])[CH2:14][CH:33]([O:54][CH:21]2[CH2:5][CH2:7][C:39]3([CH3:3])[CH:23]4[CH2:12][CH:31]([OH:47])[C:40]5([CH3:4])[CH:22]([C:20]6=[CH:9][C:32](=[O:48])[O:51][CH2:17]6)[CH2:6][CH2:8][C:41]5([OH:50])[CH:24]4[CH2:11][C:26](=[O:43])[CH:25]3[CH2:10]2)[O:52]1 |
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