| Properties | Image |
|---|
| MNX_ID | MNXM1137891 |
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| reference | envipathM:...2b9d1660080f |
| formula | C29H43O12 |
| global charge | -1 |
| mol weight | 583.651 |
| InChIKey | VRKUQYDJUOLDSB-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H44O12/c1-15-39-23(12-19(31)24(35)40-15)41-18-5-6-25(2)16(10-18)4-7-28(37)20(25)13-21(32)26(3)27(36,8-9-29(26,28)38)17(14-30)11-22(33)34/h11,15-16,18-21,23,30-32,36-38H,4-10,12-14H2,1-3H3,(H,33,34)/p-1 |
| SMILES | CC1OC(=O)C(O)CC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(O)(C(=CC(=O)[O-])CO)CCC43O)C2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C29H44O12/c1-15-39-23(12-19(31)24(35)40-15)41-18-5-6-25(2)16(10-18)4-7-28(37)20(25)13-21(32)26(3)27(36,8-9-29(26,28)38)17(14-30)11-22(33)34/h11,15-16,18-21,23,30-32,36-38H,4-10,12-14H2,1-3H3,(H,33,34)/b17-11?/t15?,16?,18?,19?,20?,21?,23?,25?,26?,27?,28?,29? |
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| SMILES (mnx) | [CH3:1][CH:15]1[O:39][CH:23]([O:41][CH:18]2[CH2:5][CH2:6][C:25]3([CH3:2])[CH:16]([CH2:4][CH2:7][C:28]4([OH:37])[CH:20]3[CH2:13][CH:21]([OH:32])[C:26]3([CH3:3])[C:27]([C:17](=[CH:11][C:22](=[O:33])[OH:34])[CH2:14][OH:30])([OH:36])[CH2:8][CH2:9][C:29]34[OH:38])[CH2:10]2)[CH2:12][CH:19]([OH:31])[C:24](=[O:35])[O:40]1 |
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