PubChemLite - 1173-09-7 (C24H36O4)

Structural Information

Molecular Formula

SMILES

C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)COC(=O)C)C)C)O

InChI

InChI=1S/C24H36O4/c1-14-11-20-18-6-5-16-12-17(26)7-9-23(16,3)19(18)8-10-24(20,4)22(14)21(27)13-28-15(2)25/h5,14,17-20,22,26H,6-13H2,1-4H3/t14-,17+,18-,19+,20+,22-,23+,24+/m1/s1

InChIKey

LIZWBGZACPSUNY-MDXUQPGDSA-N

Compound name

[2-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

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]+	389.26863	196.9
[M+Na]+	411.25057	203.7
[M+NH4]+	406.29517	207.2
[M+K]+	427.22451	195.9
[M-H]-	387.25407	197.6
[M+Na-2H]-	409.23602	196.6
[M]+	388.26080	198.0
[M]-	388.26190	198.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.26863

196.9

[M+Na]+

411.25057

203.7

[M+NH4]+

406.29517

207.2

[M+K]+

427.22451

195.9

[M-H]-

387.25407

197.6

[M+Na-2H]-

409.23602

196.6

[M]+

388.26080

198.0

[M]-

388.26190

198.0

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

1173-09-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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