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CAS 118-34-3 ELEUTHEROSIDE B molecular structure lightbox
CAS RN: 118-34-3

ELEUTHEROSIDE B

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100mg In stock Shanghai Inquiry
Batchno.20260218 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260210 250mg In stock Shanghai Inquiry
Batchno.20260128 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS118-34-3
  • Purity/Analytical Methods: >99.0%
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118-34-3 / (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol

SCHEMBL17580208 | AKOS030241324

Standard CAS: 118-34-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118-34-3
Multi CAS
Yes
Molecular Formula
C17H24O9
Molecular Weight
372.400000
Exact Mass
372.142032
SMILES
COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO
InChI
InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
InChIKey
QJVXKWHHAMZTBY-GCPOEHJPSA-N
Synonyms
SCHEMBL17580208 AKOS030241324

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
5
Molar refractivity
90.06
TPSA
138.07

LogP / Solubility

WLOGP
-1.11
MLOGP
-0.96
XLogP3
-1.3
Consensus LogP
-1.12
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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