| Properties | Image |
|---|
| MNX_ID | MNXM1178985 |
 |
| reference | envipathM:...a683f3bae32a |
| formula | C41H62O15 |
| global charge | 0 |
| mol weight | 794.932 |
| InChIKey | ZXRVHUXHOIMZFM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O15/c1-19-37(55-34-16-29(45)38(20(2)52-34)56-35-14-27(43)36(48)30(17-42)54-35)28(44)15-33(51-19)53-23-7-9-39(3)22(12-23)5-6-25-26(39)13-31(46)40(4)24(8-10-41(25,40)49)21-11-32(47)50-18-21/h17,19-31,33-35,37-38,43-46,49H,5-16,18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C6COC(=O)C6)CCC54O)C3)OC2C)CC(O)C1OC1CC(O)C(=O)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O15/c1-19-37(55-34-16-29(45)38(20(2)52-34)56-35-14-27(43)36(48)30(17-42)54-35)28(44)15-33(51-19)53-23-7-9-39(3)22(12-23)5-6-25-26(39)13-31(46)40(4)24(8-10-41(25,40)49)21-11-32(47)50-18-21/h17,19-31,33-35,37-38,43-46,49H,5-16,18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,33?,34?,35?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:37]([O:55][CH:34]2[CH2:16][CH:29]([OH:45])[CH:38]([O:56][CH:35]3[CH2:14][CH:27]([OH:43])[C:36](=[O:48])[CH:30]([CH:17]=[O:42])[O:54]3)[CH:20]([CH3:2])[O:52]2)[CH:28]([OH:44])[CH2:15][CH:33]([O:53][CH:23]2[CH2:7][CH2:9][C:39]3([CH3:3])[CH:22]([CH2:5][CH2:6][CH:25]4[CH:26]3[CH2:13][CH:31]([OH:46])[C:40]3([CH3:4])[CH:24]([CH:21]5[CH2:11][C:32](=[O:47])[O:50][CH2:18]5)[CH2:8][CH2:10][C:41]43[OH:49])[CH2:12]2)[O:51]1 |
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