PubChemLite - (12s,15s)-15-o-demethyl-10,29-dideoxy-11,12-dihydro-striatin c (C25H38O6)

Structural Information

Molecular Formula

SMILES

CC(C)C1=C2C3CCC4C5C(C3(CCC2(CC1)C)C)OC6C5(C(C(CO6)O)OC4O)O

InChI

InChI=1S/C25H38O6/c1-12(2)13-7-8-23(3)9-10-24(4)15(17(13)23)6-5-14-18-20(24)31-22-25(18,28)19(30-21(14)27)16(26)11-29-22/h12,14-16,18-22,26-28H,5-11H2,1-4H3

InChIKey

FTZQOXPOWUWXJV-UHFFFAOYSA-N

Compound name

2,5-dimethyl-8-propan-2-yl-15,19,23-trioxahexacyclo[18.2.1.02,10.05,9.013,22.016,21]tricos-8-ene-14,17,21-triol

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]+	435.27413	199.7
[M+Na]+	457.25607	203.6
[M+NH4]+	452.30067	210.1
[M+K]+	473.23001	200.0
[M-H]-	433.25957	202.2
[M+Na-2H]-	455.24152	194.8
[M]+	434.26630	201.2
[M]-	434.26740	201.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.27413

199.7

[M+Na]+

457.25607

203.6

[M+NH4]+

452.30067

210.1

[M+K]+

473.23001

200.0

[M-H]-

433.25957

202.2

[M+Na-2H]-

455.24152

194.8

[M]+

434.26630

201.2

[M]-

434.26740

201.2

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

(12s,15s)-15-o-demethyl-10,29-dideoxy-11,12-dihydro-striatin c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe