PubChemLite - 6'-exomethylene lovastatin (C24H34O5)

Structural Information

Molecular Formula

SMILES

CC[C@H](C)C(=O)O[C@H]1CC(=C)C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O

InChI

InChI=1S/C24H34O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,15-16,18-21,23,25H,2,5,8-9,11-13H2,1,3-4H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

InChIKey

CUFUDDFNKHOQEC-HGQWONQESA-N

Compound name

[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	403.24791	198.4
[M+Na]+	425.22985	207.7
[M+NH4]+	420.27445	203.9
[M+K]+	441.20379	202.3
[M-H]-	401.23335	201.6
[M+Na-2H]-	423.21530	198.1
[M]+	402.24008	200.3
[M]-	402.24118	200.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.24791

198.4

[M+Na]+

425.22985

207.7

[M+NH4]+

420.27445

203.9

[M+K]+

441.20379

202.3

[M-H]-

401.23335

201.6

[M+Na-2H]-

423.21530

198.1

[M]+

402.24008

200.3

[M]-

402.24118

200.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

6'-exomethylene lovastatin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe