[email protected]
CAS 105742-81-2 Methyl ganoderate C6 molecular structure lightbox
CAS RN: 105742-81-2

Methyl ganoderate C6

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250729 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS105742-81-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

105742-81-2 / methyl (6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

Methyl ganoderate C6 | methyl (6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate | methyl ganoderic acid C6

Standard CAS: 105742-81-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105742-81-2
Multi CAS
Yes
Molecular Formula
C31H44O8
Molecular Weight
544.700000
Exact Mass
544.303618
SMILES
C[C@H](CC(=O)CC(C)C(=O)OC)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C
InChI
InChI=1S/C31H44O8/c1-15(11-17(32)12-16(2)27(38)39-8)18-13-22(35)31(7)23-19(33)14-20-28(3,4)21(34)9-10-29(20,5)24(23)25(36)26(37)30(18,31)6/h15-16,18,20-21,26,34,37H,9-14H2,1-8H3/t15-,16?,18-,20+,21+,26-,29+,30+,31+/m1/s1
InChIKey
AZCYOYBNOUOOJJ-RKJACJFUSA-N
Synonyms
Methyl ganoderate C6 methyl (6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate methyl ganoderic acid C6 orb1682118 HY-N8588

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.77
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
142.2
TPSA
135.04

LogP / Solubility

WLOGP
3.4
MLOGP
3.03
XLogP3
2.4
Consensus LogP
2.94
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9

Customers Also Viewed

Get In Touch

Contact Us