| Properties | Image |
|---|
| MNX_ID | MNXM1184507 |
 |
| reference | envipathM:...8e188b46adf1 |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | REBIIRBYYWMNLZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-18-34(47)27(43)15-32(51-18)56-37-20(3)53-33(17-29(37)45)57-36-19(2)52-31(16-28(36)44)55-23-9-11-39(5)22(13-23)7-8-24-26(39)14-30(46)40(6)25(10-12-41(24,40)50)35(48)38(49)54-21(4)42/h18-20,22-28,30-34,36-38,43-44,46-47,49-50H,7-17H2,1-6H3 |
| SMILES | CC(=O)OC(O)C(=O)C1CCC2(O)C3CCC4CC(OC5CC(O)C(OC6CC(=O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(O)C12C |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-18-34(47)27(43)15-32(51-18)56-37-20(3)53-33(17-29(37)45)57-36-19(2)52-31(16-28(36)44)55-23-9-11-39(5)22(13-23)7-8-24-26(39)14-30(46)40(6)25(10-12-41(24,40)50)35(48)38(49)54-21(4)42/h18-20,22-28,30-34,36-38,43-44,46-47,49-50H,7-17H2,1-6H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:47])[CH:27]([OH:43])[CH2:15][CH:32]([O:56][CH:37]2[CH:20]([CH3:3])[O:53][CH:33]([O:57][CH:36]3[CH:19]([CH3:2])[O:52][CH:31]([O:55][CH:23]4[CH2:9][CH2:11][C:39]5([CH3:5])[CH:22]([CH2:7][CH2:8][CH:24]6[CH:26]5[CH2:14][CH:30]([OH:46])[C:40]5([CH3:6])[CH:25]([C:35]([CH:38]([OH:49])[O:54][C:21]([CH3:4])=[O:42])=[O:48])[CH2:10][CH2:12][C:41]65[OH:50])[CH2:13]4)[CH2:16][CH:28]3[OH:44])[CH2:17][C:29]2=[O:45])[O:51]1 |
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