| Properties | Image |
|---|
| MNX_ID | MNXM1184873 |
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| reference | envipathM:...3664cd301f42 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | ICIQTGVTJCYMQA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-19-35(48)25(43)13-33(52-19)57-37-27(45)15-34(55-28(37)17-42)56-36-20(2)53-32(14-26(36)44)54-23-7-9-38(3)22(12-23)5-6-29-40(49)10-8-24(21-11-31(47)51-18-21)39(40,4)30(46)16-41(29,38)50/h11,19-20,22-26,28-29,32-37,42-44,48-50H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5(O)CC(=O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-19-35(48)25(43)13-33(52-19)57-37-27(45)15-34(55-28(37)17-42)56-36-20(2)53-32(14-26(36)44)54-23-7-9-38(3)22(12-23)5-6-29-40(49)10-8-24(21-11-31(47)51-18-21)39(40,4)30(46)16-41(29,38)50/h11,19-20,22-26,28-29,32-37,42-44,48-50H,5-10,12-18H2,1-4H3/t19?,20?,22?,23?,24?,25?,26?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:48])[CH:25]([OH:43])[CH2:13][CH:33]([O:57][CH:37]2[C:27](=[O:45])[CH2:15][CH:34]([O:56][CH:36]3[CH:20]([CH3:2])[O:53][CH:32]([O:54][CH:23]4[CH2:7][CH2:9][C:38]5([CH3:3])[CH:22]([CH2:5][CH2:6][CH:29]6[C:40]7([OH:49])[CH2:10][CH2:8][CH:24]([C:21]8=[CH:11][C:31](=[O:47])[O:51][CH2:18]8)[C:39]7([CH3:4])[C:30](=[O:46])[CH2:16][C:41]65[OH:50])[CH2:12]4)[CH2:14][CH:26]3[OH:44])[O:55][CH:28]2[CH2:17][OH:42])[O:52]1 |
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