20,24-epoxy-25,26-dihydroxydammaran-3-one (C30H50O4)

Structural Information

Molecular Formula

SMILES

CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(CO)O)C)C)C)C

InChI

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

InChIKey

LBWOQWCMNAJNNC-UHFFFAOYSA-N

Compound name

17-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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]+	475.378176	216.6
[M+Na]+	497.360118	221.0
[M-H]-	473.363624	220.9
[M+NH4]+	492.404723	238.1
[M+K]+	513.334058	215.6
[M+H-H2O]+	457.368160	212.5
[M+HCOO]-	519.369101	216.5
[M+CH3COO]-	533.384751	235.4
[M+Na-2H]-	495.345566	214.5
[M]+	474.37035142	211.2
[M]-	474.37144858	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.378176

216.6

[M+Na]+

497.360118

221.0

[M-H]-

473.363624

220.9

[M+NH4]+

492.404723

238.1

[M+K]+

513.334058

215.6

[M+H-H2O]+

457.368160

212.5

[M+HCOO]-

519.369101

216.5

[M+CH3COO]-

533.384751

235.4

[M+Na-2H]-

495.345566

214.5

[M]+

474.37035142

211.2

[M]-

474.37144858

211.2

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

20,24-epoxy-25,26-dihydroxydammaran-3-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe