CID 131751640

Artabsinolide d

Structural Information

Molecular Formula

C₁₅H₂₂O₅

SMILES

CC1C2CCC(C3=C(C2OC1=O)C(CC3O)(C)O)(C)O

InChI

InChI=1S/C15H22O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-9,12,16,18-19H,4-6H2,1-3H3

InChIKey

YZKOCDPFUHYTHX-UHFFFAOYSA-N

Compound name

6,7,9-trihydroxy-3,6,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.14673 Da
Monoisotopic Mass: -1.1
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]+	283.154006	161.5
[M+Na]+	305.135948	169.1
[M-H]-	281.139454	165.5
[M+NH4]+	300.180553	182.9
[M+K]+	321.109888	168.0
[M+H-H2O]+	265.143990	159.9
[M+HCOO]-	327.144931	174.2
[M+CH3COO]-	341.160581	196.3
[M+Na-2H]-	303.121396	162.5
[M]+	282.14618142	158.4
[M]-	282.14727858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.