CID 453214
15-demethyl plumieride
Structural Information
- Molecular Formula
- C20H24O12
- SMILES
- COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@@]23C=C(C(=O)O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- InChI
- InChI=1S/C20H24O12/c1-28-17(27)10-7-29-18(31-19-15(25)14(24)13(23)11(6-22)30-19)12-9(10)2-3-20(12)4-8(5-21)16(26)32-20/h2-4,7,9,11-15,18-19,21-25H,5-6H2,1H3/t9-,11-,12-,13-,14+,15-,18+,19+,20-/m1/s1
- InChIKey
- XFIOZCMKPNZOII-RJMCEWFISA-N
- Compound name
- methyl (1S,4aS,7R,7aS)-4'-(hydroxymethyl)-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 457.13405 | 195.8 |
[M+Na]+ | 479.11599 | 200.5 |
[M-H]- | 455.11949 | 201.4 |
[M+NH4]+ | 474.16059 | 203.8 |
[M+K]+ | 495.08993 | 202.6 |
[M+H-H2O]+ | 439.12403 | 192.9 |
[M+HCOO]- | 501.12497 | 202.5 |
[M+CH3COO]- | 515.14062 | 223.9 |
[M+Na-2H]- | 477.10144 | 194.3 |
[M]+ | 456.12622 | 199.6 |
[M]- | 456.12732 | 199.6 |