CID 111242
6877-73-2
Structural Information
- Molecular Formula
- C30H46O4
- SMILES
- C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=C6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)C)OC1
- InChI
- InChI=1S/C30H46O4/c1-17-7-12-30(32-16-17)19(3)27-26(34-30)15-25-22-13-18(2)24-14-21(33-20(4)31)8-10-28(24,5)23(22)9-11-29(25,27)6/h17,19,21-23,25-27H,7-16H2,1-6H3/t17-,19+,21+,22-,23+,25+,26+,27+,28-,29+,30-/m1/s1
- InChIKey
- OGEFDNIZNJRWMH-AUBPAKAUSA-N
- Compound name
- [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13,19-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 471.34688 | 218.1 |
[M+Na]+ | 493.32882 | 221.8 |
[M-H]- | 469.33232 | 225.0 |
[M+NH4]+ | 488.37342 | 236.9 |
[M+K]+ | 509.30276 | 217.2 |
[M+H-H2O]+ | 453.33686 | 211.0 |
[M+HCOO]- | 515.33780 | 218.1 |
[M+CH3COO]- | 529.35345 | 223.8 |
[M+Na-2H]- | 491.31427 | 211.2 |
[M]+ | 470.33905 | 212.5 |
[M]- | 470.34015 | 212.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.