CAS RN: 100665-44-9
Deacetyl ganoderic acid F
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250905 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS100665-44-9
- Purity/Analytical Methods: >99.0%
100665-44-9 / 6-(12-hydroxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
deacetyl-Ganoderic acid F | Ganoderic acid F, deacetyl- | 12-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid
Basic Information
CAS
100665-44-9
Multi CAS
Yes
Molecular Formula
C30H40O8
Molecular Weight
528.600000
Exact Mass
528.272318
SMILES
CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)O)C)C
InChI
InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19,25,36H,8-13H2,1-7H3,(H,37,38)
InChIKey
MNXGGTWKTCLFDT-UHFFFAOYSA-N
Synonyms
deacetyl-Ganoderic acid F
Ganoderic acid F, deacetyl-
12-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid
CHEMBL2203607
12-hydroxy-3,7,11,15,23-pentaoxo-lanost-8-en-26-oic acid
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
136.82
TPSA
142.88
LogP / Solubility
WLOGP
3.52
MLOGP
3.14
XLogP3
1.7
Consensus LogP
2.79
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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