PubChemLite - 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]+	475.37818	216.6
[M+Na]+	497.36012	221.0
[M-H]-	473.36362	220.9
[M+NH4]+	492.40472	238.1
[M+K]+	513.33406	215.6
[M+H-H2O]+	457.36816	212.5
[M+HCOO]-	519.36910	216.5
[M+CH3COO]-	533.38475	235.4
[M+Na-2H]-	495.34557	214.5
[M]+	474.37035	211.2
[M]-	474.37145	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.37818

216.6

[M+Na]+

497.36012

221.0

[M-H]-

473.36362

220.9

[M+NH4]+

492.40472

238.1

[M+K]+

513.33406

215.6

[M+H-H2O]+

457.36816

212.5

[M+HCOO]-

519.36910

216.5

[M+CH3COO]-

533.38475

235.4

[M+Na-2H]-

495.34557

214.5

[M]+

474.37035

211.2

[M]-

474.37145

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