PubChemLite - Artocommunol cc (C30H32O7)

Structural Information

Molecular Formula

SMILES

CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C[C@H](OC5=C4C=CC(=C5)O)C(C)(C)O)O)C)C

InChI

InChI=1S/C30H32O7/c1-16(2)7-6-11-30(5)12-10-19-23(37-30)15-21(32)25-26(33)20-14-24(29(3,4)34)35-22-13-17(31)8-9-18(22)27(20)36-28(19)25/h7-10,12-13,15,24,31-32,34H,6,11,14H2,1-5H3/t24-,30?/m0/s1

InChIKey

DNQGMSASTSNOOR-YJJLJQPASA-N

Compound name

(16S)-11,20-dihydroxy-16-(2-hydroxypropan-2-yl)-7-methyl-7-(4-methylpent-3-enyl)-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one

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]+	505.22208	223.4
[M+Na]+	527.20402	230.6
[M-H]-	503.20752	230.0
[M+NH4]+	522.24862	230.4
[M+K]+	543.17796	233.5
[M+H-H2O]+	487.21206	217.1
[M+HCOO]-	549.21300	228.1
[M+CH3COO]-	563.22865	230.0
[M+Na-2H]-	525.18947	227.0
[M]+	504.21425	226.7
[M]-	504.21535	226.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.22208

223.4

[M+Na]+

527.20402

230.6

[M-H]-

503.20752

230.0

[M+NH4]+

522.24862

230.4

[M+K]+

543.17796

233.5

[M+H-H2O]+

487.21206

217.1

[M+HCOO]-

549.21300

228.1

[M+CH3COO]-

563.22865

230.0

[M+Na-2H]-

525.18947

227.0

[M]+

504.21425

226.7

[M]-

504.21535

226.7

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

Artocommunol cc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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