PubChemLite - (3alphaoh,20s,24s)-3,19:20,24-diepoxydammarane-3,25-diol (C30H50O4)

Structural Information

Molecular Formula

SMILES

CC1(C2CCC3(C(C24CCC1(OC4)O)CCC5C3(CCC5C6(CCC(O6)C(C)(C)O)C)C)C)C

InChI

InChI=1S/C30H50O4/c1-24(2)21-11-14-27(6)22(29(21)16-17-30(24,32)33-18-29)9-8-19-20(10-13-26(19,27)5)28(7)15-12-23(34-28)25(3,4)31/h19-23,31-32H,8-18H2,1-7H3

InChIKey

VQVGNVXQGAGQRV-UHFFFAOYSA-N

Compound name

6-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-15-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]+	475.37818	209.6
[M+Na]+	497.36012	212.8
[M-H]-	473.36362	209.2
[M+NH4]+	492.40472	233.5
[M+K]+	513.33406	207.3
[M+H-H2O]+	457.36816	200.3
[M+HCOO]-	519.36910	200.9
[M+CH3COO]-	533.38475	213.4
[M+Na-2H]-	495.34557	211.6
[M]+	474.37035	207.2
[M]-	474.37145	207.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.37818

209.6

[M+Na]+

497.36012

212.8

[M-H]-

473.36362

209.2

[M+NH4]+

492.40472

233.5

[M+K]+

513.33406

207.3

[M+H-H2O]+

457.36816

200.3

[M+HCOO]-

519.36910

200.9

[M+CH3COO]-

533.38475

213.4

[M+Na-2H]-

495.34557

211.6

[M]+

474.37035

207.2

[M]-

474.37145

207.2

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

(3alphaoh,20s,24s)-3,19:20,24-diepoxydammarane-3,25-diol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe