| Properties | Image |
|---|
| MNX_ID | MNXM1367946 |
 |
| reference | sabiorkM:31336 |
| formula | C29H49O8S |
| global charge | -1 |
| mol weight | 557.77 |
| InChIKey | MXFYIPZNENWPSK-BSBOPDPFSA-M |
| InChI | InChI=1S/C29H50O8S/c1-7-17(15(2)3)26(33)27(37-38(34,35)36)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-33H,7-14H2,1-6H3,(H,34,35,36)/p-1/t16-,17-,18?,19?,20?,21?,22+,24-,25+,26+,27+,28+,29+/m0/s1 |
| SMILES | CC[C@@H](C(C)C)[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](C)C1CCC2C3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C29H50O8S/c1-7-17(15(2)3)26(33)27(37-38(34,35)36)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-33H,7-14H2,1-6H3,(H,34,35,36)/t16-,17-,18?,19?,20?,21?,22+,24-,25+,26+,27+,28+,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C@@H:17]([CH:15]([CH3:2])[CH3:3])[C@H:26]([C@@H:27]([C@@H:16]([CH3:4])[CH:19]1[CH2:8][CH2:9][CH:20]2[CH:18]3[CH2:12][C:23](=[O:30])[C@H:22]4[CH2:13][C@H:24]([OH:31])[C@H:25]([OH:32])[CH2:14][C@:29]4([CH3:6])[CH:21]3[CH2:10][CH2:11][C@:28]12[CH3:5])[O:37][S:38]([OH:34])(=[O:35])=[O:36])[OH:33] |
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