| Properties | Image |
|---|
| MNX_ID | MNXM1191917 |
 |
| reference | envipathM:...49b71e374bcc |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | HHAOJERZQPXACI-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-24(21-9-34(49)51-17-21)7-8-27(43)25-6-5-22-10-23(11-33(48)41(22,4)26(25)12-28(18)44)54-37-15-31(47)40(32(16-42)55-37)57-36-14-30(46)39(20(3)53-36)56-35-13-29(45)38(50)19(2)52-35/h9,18-20,22-26,30-33,35-40,42,46-48,50H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C(=O)CCC(C7=CC(=O)OC7)C(C)C(=O)CC65)C4)OC3CO)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-24(21-9-34(49)51-17-21)7-8-27(43)25-6-5-22-10-23(11-33(48)41(22,4)26(25)12-28(18)44)54-37-15-31(47)40(32(16-42)55-37)57-36-14-30(46)39(20(3)53-36)56-35-13-29(45)38(50)19(2)52-35/h9,18-20,22-26,30-33,35-40,42,46-48,50H,5-8,10-17H2,1-4H3/t18?,19?,20?,22?,23?,24?,25?,26?,30?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:24]([C:21]2=[CH:9][C:34](=[O:49])[O:51][CH2:17]2)[CH2:7][CH2:8][C:27](=[O:43])[CH:25]2[CH2:6][CH2:5][CH:22]3[CH2:10][CH:23]([O:54][CH:37]4[CH2:15][CH:31]([OH:47])[CH:40]([O:57][CH:36]5[CH2:14][CH:30]([OH:46])[CH:39]([O:56][CH:35]6[CH2:13][C:29](=[O:45])[CH:38]([OH:50])[CH:19]([CH3:2])[O:52]6)[CH:20]([CH3:3])[O:53]5)[CH:32]([CH2:16][OH:42])[O:55]4)[CH2:11][CH:33]([OH:48])[C:41]3([CH3:4])[CH:26]2[CH2:12][C:28]1=[O:44] |
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