PubChemLite - Perviridisinol c (C30H50O2)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H]2CC[C@H]3[C@@]4(CC[C@@H]([C@]4(CC[C@@]35[C@@]2(C5)CC[C@@H]1O)C)[C@@H](CCC(=C)C(C)C)CO)C

InChI

InChI=1S/C30H50O2/c1-19(2)20(3)7-8-22(17-31)24-11-13-28(6)26-10-9-23-21(4)25(32)12-14-29(23)18-30(26,29)16-15-27(24,28)5/h19,21-26,31-32H,3,7-18H2,1-2,4-6H3/t21-,22-,23-,24+,25-,26-,27+,28-,29+,30-/m0/s1

InChIKey

UIAGZIIGWMBFBA-RODLHURISA-N

Compound name

(1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R)-1-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

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]+	443.38835	210.1
[M+Na]+	465.37029	212.3
[M-H]-	441.37379	212.2
[M+NH4]+	460.41489	225.3
[M+K]+	481.34423	207.6
[M+H-H2O]+	425.37833	205.8
[M+HCOO]-	487.37927	208.7
[M+CH3COO]-	501.39492	234.6
[M+Na-2H]-	463.35574	204.4
[M]+	442.38052	206.7
[M]-	442.38162	206.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.38835

210.1

[M+Na]+

465.37029

212.3

[M-H]-

441.37379

212.2

[M+NH4]+

460.41489

225.3

[M+K]+

481.34423

207.6

[M+H-H2O]+

425.37833

205.8

[M+HCOO]-

487.37927

208.7

[M+CH3COO]-

501.39492

234.6

[M+Na-2H]-

463.35574

204.4

[M]+

442.38052

206.7

[M]-

442.38162

206.7

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

Perviridisinol c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe