141299-95-8 (C23H32O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC=C3[C@H]([C@@H]1CC[C@]2(CC=C)O)CCC4=C3CCC5(C4)OCCO5

InChI

InChI=1S/C23H32O3/c1-3-9-22(24)11-8-20-19-5-4-16-15-23(25-13-14-26-23)12-7-17(16)18(19)6-10-21(20,22)2/h3,6,19-20,24H,1,4-5,7-15H2,2H3/t19-,20+,21+,22+/m1/s1

InChIKey

VBDDGDLFYDUSPM-MLNNCEHLSA-N

Compound name

(8S,13S,14S,17R)-13-methyl-17-prop-2-enylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-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]+	357.242416	188.1
[M+Na]+	379.224358	193.5
[M-H]-	355.227864	194.3
[M+NH4]+	374.268963	209.8
[M+K]+	395.198298	188.5
[M+H-H2O]+	339.232400	181.7
[M+HCOO]-	401.233341	195.5
[M+CH3COO]-	415.248991	196.6
[M+Na-2H]-	377.209806	188.2
[M]+	356.23459142	182.4
[M]-	356.23568858	182.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

357.242416

188.1

[M+Na]+

379.224358

193.5

[M-H]-

355.227864

194.3

[M+NH4]+

374.268963

209.8

[M+K]+

395.198298

188.5

[M+H-H2O]+

339.232400

181.7

[M+HCOO]-

401.233341

195.5

[M+CH3COO]-

415.248991

196.6

[M+Na-2H]-

377.209806

188.2

[M]+

356.23459142

182.4

[M]-

356.23568858

182.4

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

141299-95-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe