| Properties | Image |
|---|
| MNX_ID | MNXM1195169 |
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| reference | envipathM:...74df1584d9c4 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | FBTACRVYPLRAGG-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-33(48)24(42)11-31(53-18)57-35-20(3)55-32(13-26(35)44)58-34-19(2)54-30(12-25(34)43)56-21-6-8-37(4)23-10-28(46)38(5)36(39(49)16-29(47)52-17-39)27(45)15-41(38,51)22(23)7-9-40(37,50)14-21/h18-23,25-27,30-36,43-45,48-51H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C7(C)C(C8(O)COC(=O)C8)C(O)CC7(O)C6CCC5(O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-33(48)24(42)11-31(53-18)57-35-20(3)55-32(13-26(35)44)58-34-19(2)54-30(12-25(34)43)56-21-6-8-37(4)23-10-28(46)38(5)36(39(49)16-29(47)52-17-39)27(45)15-41(38,51)22(23)7-9-40(37,50)14-21/h18-23,25-27,30-36,43-45,48-51H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,25?,26?,27?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:48])[C:24](=[O:42])[CH2:11][CH:31]([O:57][CH:35]2[CH:20]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:54][CH:30]([O:56][CH:21]4[CH2:6][CH2:8][C:37]5([CH3:4])[CH:23]6[CH2:10][C:28](=[O:46])[C:38]7([CH3:5])[CH:36]([C:39]8([OH:49])[CH2:16][C:29](=[O:47])[O:52][CH2:17]8)[CH:27]([OH:45])[CH2:15][C:41]7([OH:51])[CH:22]6[CH2:7][CH2:9][C:40]5([OH:50])[CH2:14]4)[CH2:12][CH:25]3[OH:43])[CH2:13][CH:26]2[OH:44])[O:53]1 |
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