Perviridisinol b (C30H48O3)

Structural Information

Molecular Formula

SMILES

CC(=C[C@@H]1[C@H]([C@@H](CO1)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O)C)C)O)C

InChI

InChI=1S/C30H48O3/c1-18(2)15-21-25(32)19(16-33-21)20-9-11-28(6)23-8-7-22-26(3,4)24(31)10-12-29(22)17-30(23,29)14-13-27(20,28)5/h15,19-25,31-32H,7-14,16-17H2,1-6H3/t19-,20+,21+,22-,23-,24-,25-,27+,28-,29+,30-/m0/s1

InChIKey

XCEVATPMSVPKCQ-XFQKVXLTSA-N

Compound name

(2R,3S,4R)-4-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-(2-methylprop-1-enyl)oxolan-3-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]+	457.367626	205.1
[M+Na]+	479.349568	210.2
[M-H]-	455.353074	211.7
[M+NH4]+	474.394173	222.3
[M+K]+	495.323508	206.6
[M+H-H2O]+	439.357610	201.7
[M+HCOO]-	501.358551	203.7
[M+CH3COO]-	515.374201	211.1
[M+Na-2H]-	477.335016	200.5
[M]+	456.35980142	202.4
[M]-	456.36089858	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.367626

205.1

[M+Na]+

479.349568

210.2

[M-H]-

455.353074

211.7

[M+NH4]+

474.394173

222.3

[M+K]+

495.323508

206.6

[M+H-H2O]+

439.357610

201.7

[M+HCOO]-

501.358551

203.7

[M+CH3COO]-

515.374201

211.1

[M+Na-2H]-

477.335016

200.5

[M]+

456.35980142

202.4

[M]-

456.36089858

202.4

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

Perviridisinol b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe