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[34-hydroxy-13-(2-hydroxyethyl)-40-[(3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate

HCID 131752016
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Basic information

CAS
255041-59-9
Standard SMILES
C=CCC(=C)/C=C/C(C)(O)C1OC2CC3OC4CC5OC6CC7OC8CC9OC%10CC%11OC(C)(CCO)C(OS(=O)(=O)O)CC%11OC%10CC9OC8CCC7(C)OC6(C)CCC(C)C5OC4C(O)C3(C)OC2CC1=C
InChIKey
STPLAPGVFWFJCX-NTCAYCPXSA-N
Molecular formula
C55H82O18S
Average molar mass
1,063.3 g/mol
Monoisotopic mass
1,062.52218694

Names & identifiers

Preferred name
[34-hydroxy-13-(2-hydroxyethyl)-40-[(3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate
IUPAC
[34-hydroxy-13-(2-hydroxyethyl)-40-[(3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate

Database identifiers

CAS
255041-59-9
PubChem CID
131752016

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
234 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
18
Rotatable bonds
9
Heavy atoms
74
Formal charge
0
Complexity
2,280

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

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Compound notes

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