| Properties | Image |
|---|
| MNX_ID | MNXM1195832 |
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| reference | envipathM:...7825c495168f |
| formula | C24H39O7 |
| global charge | -1 |
| mol weight | 439.569 |
| InChIKey | NAQXLLXRSNPVTF-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O7/c1-11(22(30)31)19-16(27)9-15-18-20(17(28)10-24(15,19)3)23(2)6-4-12(26)8-14(23)13(5-7-25)21(18)29/h11-21,25-29H,4-10H2,1-3H3,(H,30,31)/p-1 |
| SMILES | CC(C(=O)[O-])C1C(O)CC2C3C(O)C(CCO)C4CC(O)CCC4(C)C3C(O)CC21C |
MNX internals
| InChI (mnx) | InChI=1/C24H40O7/c1-11(22(30)31)19-16(27)9-15-18-20(17(28)10-24(15,19)3)23(2)6-4-12(26)8-14(23)13(5-7-25)21(18)29/h11-21,25-29H,4-10H2,1-3H3,(H,30,31)/t11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,23?,24? |
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| SMILES (mnx) | [CH3:1][CH:11]([CH:19]1[CH:16]([OH:27])[CH2:9][CH:15]2[CH:18]3[CH:20]([CH:17]([OH:28])[CH2:10][C:24]21[CH3:3])[C:23]1([CH3:2])[CH2:6][CH2:4][CH:12]([OH:26])[CH2:8][CH:14]1[CH:13]([CH2:5][CH2:7][OH:25])[CH:21]3[OH:29])[C:22](=[O:30])[OH:31] |
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