CID 90471298

297179-23-8

Structural Information

Molecular Formula

C₂₃H₃₂O₃

SMILES

CC(C)C1=C(C=CC2=C1C(=C[C@@H]3[C@@]2(CCCC3(C)C)C)OC)OC(=O)C

InChI

InChI=1S/C23H32O3/c1-14(2)20-17(26-15(3)24)10-9-16-21(20)18(25-7)13-19-22(4,5)11-8-12-23(16,19)6/h9-10,13-14,19H,8,11-12H2,1-7H3/t19-,23+/m0/s1

InChIKey

WUIWHPXAFZHOFF-WMZHIEFXSA-N

Compound name

[(4bS,8aS)-10-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-2-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 356.23514 Da
Monoisotopic Mass: 6.3
XlogP (predicted)

Profile

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	186.3
[M+Na]+	379.224358	193.4
[M-H]-	355.227864	191.1
[M+NH4]+	374.268963	205.8
[M+K]+	395.198298	190.3
[M+H-H2O]+	339.232400	179.7
[M+HCOO]-	401.233341	199.8
[M+CH3COO]-	415.248991	220.9
[M+Na-2H]-	377.209806	187.1
[M]+	356.23459142	189.1
[M]-	356.23568858	189.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.