| Properties | Image |
|---|
| MNX_ID | MNXM104753 |
 |
| reference | chebi:68997 |
| formula | C30H48O5 |
| global charge | 0 |
| mol weight | 488.709 |
| InChIKey | HEMYFRUQBYQMQP-VWXWZJPTSA-N |
| InChI | InChI=1S/C30H48O5/c1-25(2)22-9-8-21-20(27(22,5)13-12-23(25)31)11-15-28(6)19(10-14-29(21,28)7)18-16-30(34,26(3,4)33)24(32)35-17-18/h8,18-20,22-23,31,33-34H,9-17H2,1-7H3/t18?,19-,20-,22-,23+,27+,28-,29+,30+/m0/s1 |
| SMILES | CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5COC(=O)[C@@](O)(C(C)(C)O)C5)CC[C@]4(C)C3=CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H48O5/c1-25(2)22-9-8-21-20(27(22,5)13-12-23(25)31)11-15-28(6)19(10-14-29(21,28)7)18-16-30(34,26(3,4)33)24(32)35-17-18/h8,18-20,22-23,31,33-34H,9-17H2,1-7H3/t18?,19-,20-,22-,23+,27+,28-,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[C@@H:22]2[CH2:9][CH:8]=[C:21]3[C@H:20]([CH2:11][CH2:15][C@@:28]4([CH3:6])[C@H:19]([CH:18]5[CH2:16][C@@:30]([C:26]([CH3:3])([CH3:4])[OH:33])([OH:34])[C:24](=[O:32])[O:35][CH2:17]5)[CH2:10][CH2:14][C@:29]34[CH3:7])[C@@:27]2([CH3:5])[CH2:13][CH2:12][C@H:23]1[OH:31] |
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