PubChemLite - Dtxsid601119707 (C24H32O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H32O5/c1-15(25)24(29-16(2)26)11-8-21-20-5-4-17-14-23(27-12-13-28-23)10-7-18(17)19(20)6-9-22(21,24)3/h6,20-21H,4-5,7-14H2,1-3H3/t20-,21+,22+,24+/m1/s1

InChIKey

ZGGAHACLOAUQSQ-VCHRRKICSA-N

Compound name

[(8S,13S,14S,17R)-17-acetyl-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl] 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]+	401.23226	197.1
[M+Na]+	423.21420	201.6
[M-H]-	399.21770	204.4
[M+NH4]+	418.25880	217.3
[M+K]+	439.18814	199.3
[M+H-H2O]+	383.22224	191.4
[M+HCOO]-	445.22318	203.9
[M+CH3COO]-	459.23883	205.3
[M+Na-2H]-	421.19965	195.9
[M]+	400.22443	194.4
[M]-	400.22553	194.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

401.23226

197.1

[M+Na]+

423.21420

201.6

[M-H]-

399.21770

204.4

[M+NH4]+

418.25880

217.3

[M+K]+

439.18814

199.3

[M+H-H2O]+

383.22224

191.4

[M+HCOO]-

445.22318

203.9

[M+CH3COO]-

459.23883

205.3

[M+Na-2H]-

421.19965

195.9

[M]+

400.22443

194.4

[M]-

400.22553

194.4

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

Dtxsid601119707

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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