| Properties | Image |
|---|
| MNX_ID | MNXM1175905 |
 |
| reference | envipathM:...13431523adfb |
| formula | C29H47O11 |
| global charge | -1 |
| mol weight | 571.684 |
| InChIKey | KJAWNUZMFRELRC-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H48O11/c1-13-25(35)21(31)12-24(39-13)40-14-4-6-27(2)17-11-22(32)28(3)16(15(26(36)37)9-23(33)34)5-7-29(28,38)18(17)10-20(30)19(27)8-14/h13-22,24-26,30-32,35-38H,4-12H2,1-3H3,(H,33,34)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C(CC(=O)[O-])C(O)O)CCC23O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C29H48O11/c1-13-25(35)21(31)12-24(39-13)40-14-4-6-27(2)17-11-22(32)28(3)16(15(26(36)37)9-23(33)34)5-7-29(28,38)18(17)10-20(30)19(27)8-14/h13-22,24-26,30-32,35-38H,4-12H2,1-3H3,(H,33,34)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,24?,25?,27?,28?,29? |
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| SMILES (mnx) | [CH3:1][CH:13]1[CH:25]([OH:35])[CH:21]([OH:31])[CH2:12][CH:24]([O:40][CH:14]2[CH2:4][CH2:6][C:27]3([CH3:2])[CH:17]4[CH2:11][CH:22]([OH:32])[C:28]5([CH3:3])[CH:16]([CH:15]([CH2:9][C:23](=[O:33])[OH:34])[CH:26]([OH:36])[OH:37])[CH2:5][CH2:7][C:29]5([OH:38])[CH:18]4[CH2:10][CH:20]([OH:30])[CH:19]3[CH2:8]2)[O:39]1 |
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