CID 466459
19,20-diacetyl-15-(1-nitroethane)-puupehenol
Structural Information
- Molecular Formula
- C27H37NO7
- SMILES
- CC([C@H]1[C@@H]2[C@]3(CCCC([C@@H]3CC[C@@]2(OC4=CC(=C(C=C14)OC(=O)C)OC(=O)C)C)(C)C)C)[N+](=O)[O-]
- InChI
- InChI=1S/C27H37NO7/c1-15(28(31)32)23-18-13-20(33-16(2)29)21(34-17(3)30)14-19(18)35-27(7)12-9-22-25(4,5)10-8-11-26(22,6)24(23)27/h13-15,22-24H,8-12H2,1-7H3/t15?,22-,23+,24+,26-,27-/m0/s1
- InChIKey
- SCNCJOWEUPAQBX-SVSZUXBMSA-N
- Compound name
- [(4aS,6aS,12S,12aR,12bS)-9-acetyloxy-4,4,6a,12b-tetramethyl-12-(1-nitroethyl)-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthen-10-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 488.26428 | 212.6 |
[M+Na]+ | 510.24622 | 215.2 |
[M-H]- | 486.24972 | 216.5 |
[M+NH4]+ | 505.29082 | 226.0 |
[M+K]+ | 526.22016 | 211.3 |
[M+H-H2O]+ | 470.25426 | 209.7 |
[M+HCOO]- | 532.25520 | 218.7 |
[M+CH3COO]- | 546.27085 | 238.0 |
[M+Na-2H]- | 508.23167 | 215.0 |
[M]+ | 487.25645 | 212.8 |
[M]- | 487.25755 | 212.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.