| Properties | Image |
|---|
| MNX_ID | MNXM1586049 |
 |
| reference | metacycM:CPD-9474 |
| formula | C30H44O5 |
| global charge | -2 |
| mol weight | 484.677 |
| InChIKey | PAIBKVQNJKUVCE-ZOLGAAHRSA-L |
| InChI | InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/p-2/t19?,20?,21?,22-,26+,27+,28+,29-,30-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)[O-])C5CC[C@]43C)C2C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19?,20?,21?,22-,26+,27+,28+,29-,30-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH2:13][CH2:15][C@:30]2([C:24](=[O:34])[OH:35])[CH2:16][CH2:14][C@:27]3([CH3:4])[C:18](=[CH:7][CH2:8][CH:20]4[C@@:26]5([CH3:3])[CH2:11][CH2:10][C@H:22]([OH:31])[C@@:29]([CH3:6])([C:23](=[O:32])[OH:33])[CH:21]5[CH2:9][CH2:12][C@:28]43[CH3:5])[CH:19]2[CH2:17]1 |
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