[email protected]
CAS 20108-30-9 FUSICOCCIN molecular structure lightbox
CAS RN: 20108-30-9

FUSICOCCIN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS20108-30-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

20108-30-9 / [(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate

Standard CAS: 20108-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20108-30-9
Multi CAS
No
Molecular Formula
C36H56O12
Molecular Weight
680.800000
Exact Mass
680.377177
SMILES
C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC
InChI
InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
InChIKey
KXTYBXCEQOANSX-WYKQKOHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.78
Rotatable bonds
12
H-bond acceptors
12
H-bond donors
4
Molar refractivity
174.23
TPSA
170.44

LogP / Solubility

WLOGP
2.61
MLOGP
2.35
XLogP3
1
Consensus LogP
1.99
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
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)
-5.02

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us