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CAS 1801934-15-5 3β,7β,12β-trihydroxy-11,15-dioxo-lanosta-8-en-24→20 lactone molecular structure lightbox
CAS RN: 1801934-15-5

3β,7β,12β-trihydroxy-11,15-dioxo-lanosta-8-en-24→20 lactone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1801934-15-5
  • Purity/Analytical Methods: >99.0%
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1801934-15-5 / (3S,5R,7S,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione

Standard CAS: 1801934-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1801934-15-5
Multi CAS
No
Molecular Formula
C27H38O7
Molecular Weight
474.600000
Exact Mass
474.261754
SMILES
C[C@]12CC[C@@H](C([C@@H]1C[C@@H](C3=C2C(=O)[C@H]([C@]4([C@]3(C(=O)C[C@@H]4[C@@]5(CCC(=O)O5)C)C)C)O)O)(C)C)O
InChI
InChI=1S/C27H38O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14-,15+,16-,22+,24-,25-,26-,27-/m0/s1
InChIKey
OCCKLFZPYIWUFJ-WBLDVHJPSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.81
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
3
Molar refractivity
122.34
TPSA
121.13

LogP / Solubility

WLOGP
2.49
MLOGP
2.23
XLogP3
1.4
Consensus LogP
2.04
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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