| Properties | Image |
|---|
| MNX_ID | MNXM1186969 |
 |
| reference | envipathM:...8731f099f960 |
| formula | C29H43O11 |
| global charge | -1 |
| mol weight | 567.652 |
| InChIKey | UYQBOKACFTVQCH-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H44O11/c1-15-24(35)18(31)11-23(39-15)40-17-5-7-25(2)16(10-17)4-8-28(37)20(25)12-21(32)26(3)19(6-9-29(26,28)38)27(36,14-30)13-22(33)34/h15-17,19-21,23,30,32,36-38H,4-14H2,1-3H3,(H,33,34)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(C(O)(CO)CC(=O)[O-])CCC43O)C2)CC(=O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H44O11/c1-15-24(35)18(31)11-23(39-15)40-17-5-7-25(2)16(10-17)4-8-28(37)20(25)12-21(32)26(3)19(6-9-29(26,28)38)27(36,14-30)13-22(33)34/h15-17,19-21,23,30,32,36-38H,4-14H2,1-3H3,(H,33,34)/t15?,16?,17?,19?,20?,21?,23?,25?,26?,27?,28?,29? |
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| SMILES (mnx) | [CH3:1][CH:15]1[C:24](=[O:35])[C:18](=[O:31])[CH2:11][CH:23]([O:40][CH:17]2[CH2:5][CH2:7][C:25]3([CH3:2])[CH:16]([CH2:4][CH2:8][C:28]4([OH:37])[CH:20]3[CH2:12][CH:21]([OH:32])[C:26]3([CH3:3])[CH:19]([C:27]([CH2:13][C:22](=[O:33])[OH:34])([CH2:14][OH:30])[OH:36])[CH2:6][CH2:9][C:29]34[OH:38])[CH2:10]2)[O:39]1 |
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