| Properties | Image |
|---|
| MNX_ID | MNXM1183727 |
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| reference | envipathM:...5cc4e6e7f5ab |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | OVGVVNFTRHPFTC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-36(49)27(43)14-34(52-18)56-39-20(3)54-35(16-29(39)45)57-38-19(2)53-33(15-28(38)44)55-23-8-9-40(4)22(11-23)12-26(42)37(50)25(40)13-31(47)41(5)24(6-7-30(41)46)21-10-32(48)51-17-21/h10,18-20,22-25,27,29,31,33-39,43,45,47,49-50H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CC(=O)C(O)C3CC(O)C3(C)C(=O)CCC3C3=CC(=O)OC3)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-36(49)27(43)14-34(52-18)56-39-20(3)54-35(16-29(39)45)57-38-19(2)53-33(15-28(38)44)55-23-8-9-40(4)22(11-23)12-26(42)37(50)25(40)13-31(47)41(5)24(6-7-30(41)46)21-10-32(48)51-17-21/h10,18-20,22-25,27,29,31,33-39,43,45,47,49-50H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,27?,29?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:49])[CH:27]([OH:43])[CH2:14][CH:34]([O:56][CH:39]2[CH:20]([CH3:3])[O:54][CH:35]([O:57][CH:38]3[CH:19]([CH3:2])[O:53][CH:33]([O:55][CH:23]4[CH2:8][CH2:9][C:40]5([CH3:4])[CH:22]([CH2:11]4)[CH2:12][C:26](=[O:42])[CH:37]([OH:50])[CH:25]5[CH2:13][CH:31]([C:41]4([CH3:5])[CH:24]([C:21]5=[CH:10][C:32](=[O:48])[O:51][CH2:17]5)[CH2:6][CH2:7][C:30]4=[O:46])[OH:47])[CH2:15][C:28]3=[O:44])[CH2:16][CH:29]2[OH:45])[O:52]1 |
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