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CAS 14162-53-9 Oleanolic acid beta-D-glucopyranosyl ester molecular structure lightbox
CAS RN: 14162-53-9

Oleanolic acid beta-D-glucopyranosyl ester

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 100mg In stock Shanghai Inquiry
Batchno.20250528 10mg In stock Shanghai Inquiry
Batchno.20250829 250mg In stock Shanghai Inquiry
Batchno.20260205 25mg In stock Shanghai Inquiry
Batchno.20250704 50mg In stock Shanghai Inquiry
Batchno.20260119 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 5mg / 20mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS14162-53-9
  • Purity/Analytical Methods: >99.0%
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14162-53-9 / [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Standard CAS: 14162-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14162-53-9
Multi CAS
No
Molecular Formula
C36H58O8
Molecular Weight
618.800000
Exact Mass
618.413169
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O
InChI
InChI=1S/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1
InChIKey
KMKFOIBUKYMVRJ-YHFBEQRYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
5
Molar refractivity
164.9
TPSA
136.68

LogP / Solubility

WLOGP
4.49
MLOGP
4
XLogP3
5.7
Consensus LogP
4.73
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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