| Properties | Image |
|---|
| MNX_ID | MNXM119177 |
 |
| reference | hmdb:HMDB0036414 |
| formula | C30H40O7 |
| global charge | 0 |
| mol weight | 512.643 |
| InChIKey | OVZIMEDUADJHPN-ORIANPTGSA-N |
| InChI | InChI=1S/C30H40O7/c1-11-14-7-9-27(4,34)20-16(21(14)35-25(11)32)13(3)19-17(20)18-22-28(5)10-8-15-12(2)26(33)36-24(15)30(19,22)29(6,37-28)23(18)31/h11-12,14-15,17-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,17-,18-,19-,20-,21-,22-,23+,24-,27-,28+,29+,30?/m0/s1 |
| SMILES | CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@H]3[C@@H]4C5([C@H]6OC(=O)[C@@H](C)[C@@H]6CC[C@@]4(C)O[C@]5(C)[C@@H]3O)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H40O7/c1-11-14-7-9-27(4,34)20-16(21(14)35-25(11)32)13(3)19-17(20)18-22-28(5)10-8-15-12(2)26(33)36-24(15)30(19,22)29(6,37-28)23(18)31/h11-12,14-15,17-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,17-,18-,19-,20-,21-,22-,23+,24-,27-,28+,29+,30?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[C@@H:14]2[CH2:7][CH2:9][C@:27]([CH3:4])([OH:34])[C@H:20]3[C:16](=[C:13]([CH3:3])[C@H:19]4[C@@H:17]3[C@H:18]3[C@H:22]5[C@@:28]6([CH3:5])[CH2:10][CH2:8][C@H:15]7[C@H:12]([CH3:2])[C:26](=[O:33])[O:36][C@@H:24]7[C:30]45[C@@:29]([CH3:6])([C@@H:23]3[OH:31])[O:37]6)[C@H:21]2[O:35][C:25]1=[O:32] |
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