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CAS 120481-73-4 Lanosta-8,20(22)-dien-26-oic acid, 15-hydroxy-3,7,11,23-tetraoxo-, (15α,20E)- molecular structure lightbox
CAS RN: 120481-73-4

Lanosta-8,20(22)-dien-26-oic acid, 15-hydroxy-3,7,11,23-tetraoxo-, (15α,20E)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS120481-73-4
  • Purity/Analytical Methods: >99.0%
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120481-73-4 / (Z)-6-[(10S,13R,14R,15S)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid

Standard CAS: 120481-73-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120481-73-4
Multi CAS
Yes
Molecular Formula
C30H40O7
Molecular Weight
512.600000
Exact Mass
512.277404
SMILES
CC(CC(=O)/C=C(/C)\C1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2C(=O)CC4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C(=O)O
InChI
InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21,23,35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,18?,21?,23-,28-,29+,30-/m0/s1
InChIKey
GFKYVWHGNWCEQF-KWOIKPTFSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
136.4
TPSA
125.81

LogP / Solubility

WLOGP
4.26
MLOGP
3.79
XLogP3
2.7
Consensus LogP
3.58
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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