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	210.2
[M+Na]+	497.36012	214.2
[M+NH4]+	492.40472	223.8
[M+K]+	513.33406	204.4
[M-H]-	473.36362	212.4
[M+Na-2H]-	495.34557	212.8
[M]+	474.37035	212.0
[M]-	474.37145	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.37818

210.2

[M+Na]+

497.36012

214.2

[M+NH4]+

492.40472

223.8

[M+K]+

513.33406

204.4

[M-H]-

473.36362

212.4

[M+Na-2H]-

495.34557

212.8

[M]+

474.37035

212.0

[M]-

474.37145

212.0

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