| Properties | Image |
|---|
| MNX_ID | MNXM105082 |
 |
| reference | chebi:69217 |
| formula | C30H46O6S |
| global charge | 0 |
| mol weight | 534.759 |
| InChIKey | NXFKKVRHIZTYMJ-HLYSYWIOSA-N |
| InChI | InChI=1S/C30H46O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23H,10-18H2,1-7H3,(H,31,32)(H,33,34,35)/t21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]2CC[C@]13C |
MNX internals
| InChI (mnx) | InChI=1/C30H46O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23H,10-18H2,1-7H3,(H,31,32)(H,33,34,35)/t21-,22+,23-,27-,28+,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH2:14][CH2:16][C@:30]2([C:24](=[O:31])[OH:32])[CH2:17][CH2:15][C@:28]3([CH3:6])[C:19](=[C:20]2[CH2:18]1)[CH:8]=[CH:9][C@@H:22]1[C@@:27]2([CH3:5])[CH2:12][CH2:11][C@H:23]([O:36][S:37]([OH:33])(=[O:34])=[O:35])[C:26]([CH3:3])([CH3:4])[C@@H:21]2[CH2:10][CH2:13][C@:29]13[CH3:7] |
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