[email protected]
CAS 108657-10-9 [3aR-[3aR*,4R*(E),6E,9S*,10E,11aR*]]-4-Hydroxy-2-methyl-2-butenoic acid 2,3,3a,4,5,8,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester molecular structure lightbox
CAS RN: 108657-10-9

[3aR-[3aR*,4R*(E),6E,9S*,10E,11aR*]]-4-Hydroxy-2-methyl-2-butenoic acid 2,3,3a,4,5,8,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 10mg In stock Shanghai Inquiry
Batchno.20260101 1mg In stock Shanghai Inquiry
Batchno.20250713 25mg In stock Shanghai Inquiry
Batchno.20260127 50mg In stock Shanghai Inquiry
Batchno.20251014 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS108657-10-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

108657-10-9 / (9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-hydroxy-2-methylbut-2-enoate

Eupalinolide K | (3aR,4R,6E,9S,10E,11aR)-9-Hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (E)-4-hydroxy-2-methylbut-2-enoate | orb1684612

Standard CAS: 108657-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
108657-10-9
Multi CAS
Yes
Molecular Formula
C20H26O6
Molecular Weight
362.400000
Exact Mass
362.172939
SMILES
CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCO)C)C(=C)C(=O)O2)C)O
InChI
InChI=1S/C20H26O6/c1-11-5-6-15(22)13(3)10-17-18(14(4)20(24)26-17)16(9-11)25-19(23)12(2)7-8-21/h5,7,10,15-18,21-22H,4,6,8-9H2,1-3H3/b11-5+,12-7+,13-10+/t15-,16+,17+,18+/m0/s1
InChIKey
APOGLVUGPAVNAP-MUNFFKKQSA-N
Synonyms
Eupalinolide K (3aR,4R,6E,9S,10E,11aR)-9-Hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (E)-4-hydroxy-2-methylbut-2-enoate orb1684612 AKOS040760390

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
95.99
TPSA
93.06

LogP / Solubility

WLOGP
1.98
MLOGP
1.76
XLogP3
1.3
Consensus LogP
1.68
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us