| Properties | Image |
|---|
| MNX_ID | MNXM108521 |
 |
| reference | chebi:69224 |
| formula | C30H46O3 |
| global charge | 0 |
| mol weight | 454.695 |
| InChIKey | VQUPEZXRIUOIJE-XDPQSBAJSA-N |
| InChI | InChI=1S/C30H46O3/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-19-25(3,4)22(31)10-11-26(19,5)20(27)9-13-30(28,21(29)18-24)33-23(29)32/h9,13,19-22,31H,8,10-12,14-18H2,1-7H3/t19-,20+,21+,22+,26-,27+,28-,29-,30-/m0/s1 |
| SMILES | CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]3C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H46O3/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-19-25(3,4)22(31)10-11-26(19,5)20(27)9-13-30(28,21(29)18-24)33-23(29)32/h9,13,19-22,31H,8,10-12,14-18H2,1-7H3/t19-,20+,21+,22+,26-,27+,28-,29-,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]1([CH3:2])[CH2:14][CH2:16][C@:29]23[CH2:17][CH2:15][C@@:28]4([CH3:7])[C@:27]5([CH3:6])[CH2:12][CH2:8][C@H:19]6[C:25]([CH3:3])([CH3:4])[C@H:22]([OH:31])[CH2:10][CH2:11][C@:26]6([CH3:5])[C@H:20]5[CH:9]=[CH:13][C@@:30]4([C@@H:21]2[CH2:18]1)[O:33][C:23]3=[O:32] |
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