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CAS 26342-66-5 rhodojaponin III molecular structure lightbox
CAS RN: 26342-66-5

rhodojaponin III

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 100mg Out of stock Inquiry
Batchno.20260313 25mg In stock Shanghai Inquiry
Batchno.20260102 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS26342-66-5
  • Purity/Analytical Methods: >99.0%
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26342-66-5 / (1S,3R,4R,6R,8S,9S,10R,11R,15R,17S)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecane-3,4,10,15,17-pentol

Standard CAS: 26342-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
26342-66-5
Multi CAS
Yes
Molecular Formula
C20H32O6
Molecular Weight
368.500000
Exact Mass
368.219889
InChI
InChI=1S/C20H32O6/c1-16(2)15-12(26-15)13-18(4,24)10-6-5-9-14(22)19(10,8-17(9,3)23)7-11(21)20(13,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14-,15+,17-,18-,19+,20-/m1/s1
InChIKey
VUMZHZYKXUYIHM-GLHQSWFFSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
92.02
TPSA
113.68

LogP / Solubility

WLOGP
0.18
MLOGP
0.18
XLogP3
0.3
Consensus LogP
0.22
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble

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
No
Log Kp (skin permeation)
-4.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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