CID 3079617
Brn 4241556
Structural Information
- Molecular Formula
- C70H87N3O18
- SMILES
- CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)NC2=CC=CC=C2)OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5C(=O)C=C7C6(CCC8(C7CC(CC8)(C)C(=O)NC9=CC=CC=C9)C)C)C)C)C(=O)NC1=CC=CC=C1)OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C70H87N3O18/c1-38(74)83-51-53(84-39(2)75)58(89-52-54(85-40(3)76)57(86-41(4)77)62(87-42(5)78)90-56(52)61(81)72-44-24-18-14-19-25-44)63(91-55(51)60(80)71-43-22-16-13-17-23-43)88-50-29-30-68(10)49(65(50,6)7)28-31-70(12)59(68)48(79)36-46-47-37-67(9,64(82)73-45-26-20-15-21-27-45)33-32-66(47,8)34-35-69(46,70)11/h13-27,36,47,49-59,62-63H,28-35,37H2,1-12H3,(H,71,80)(H,72,81)(H,73,82)
- InChIKey
- NAZSLSYJTGDMJA-UHFFFAOYSA-N
- Compound name
- [5-[2-[[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(phenylcarbamoyl)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-diacetyloxy-6-(phenylcarbamoyl)oxan-3-yl]oxy-2,3-diacetyloxy-6-(phenylcarbamoyl)oxan-4-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1258.6058 | 369.9 |
[M+Na]+ | 1280.5877 | 372.1 |
[M-H]- | 1256.5912 | 374.4 |
[M+NH4]+ | 1275.6323 | 372.0 |
[M+K]+ | 1296.5617 | 355.9 |
[M+H-H2O]+ | 1240.5958 | 353.3 |
[M+HCOO]- | 1302.5967 | 371.0 |
[M+CH3COO]- | 1316.6124 | 371.5 |
[M+Na-2H]- | 1278.5732 | 398.2 |
[M]+ | 1257.5980 | 395.2 |
[M]- | 1257.5990 | 395.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.