CAS RN: 102607-24-9
(20ξ)-3β,7β,15α,20-Tetrahydroxy-11,23-dioxo-5α-lanost-8-en-26-oic acid
Product Availability
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3 package records0 with current stock2 grade groups
- Product code: starshine_CAS102607-24-9
- Purity/Analytical Methods: >99.0%
102607-24-9 / 6-hydroxy-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17S)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Ganoderic acid L | 6-hydroxy-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17S)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid | (20xi)-3beta,7beta,15alpha,20-Tetrahydroxy-11,23-dioxo-5alpha-lanost-8-en-26-oic acid
Basic Information
CAS
102607-24-9
Multi CAS
Yes
Molecular Formula
C30H46O8
Molecular Weight
534.700000
Exact Mass
534.319268
SMILES
CC(CC(=O)CC(C)([C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)O)O)C(=O)O
InChI
InChI=1S/C30H46O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-22,32,34-35,38H,8-14H2,1-7H3,(H,36,37)/t15?,17-,19-,20-,21-,22-,27-,28+,29?,30-/m0/s1
InChIKey
RZBILUATLYXZLI-OTORYQFISA-N
Synonyms
Ganoderic acid L
6-hydroxy-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17S)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
(20xi)-3beta,7beta,15alpha,20-Tetrahydroxy-11,23-dioxo-5alpha-lanost-8-en-26-oic acid
SCHEMBL29991530
CHEBI:168628
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
5
Molar refractivity
139.89
TPSA
152.36
LogP / Solubility
WLOGP
3.04
MLOGP
2.71
XLogP3
1.3
Consensus LogP
2.35
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.38
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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5
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