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CAS 62319-70-4 2α,3β,19α,23-Tetrahydroxyolean-12-en-28-oic acid β-D-glucopyranosyl ester molecular structure lightbox
CAS RN: 62319-70-4

2α,3β,19α,23-Tetrahydroxyolean-12-en-28-oic acid β-D-glucopyranosyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62319-70-4
  • Purity/Analytical Methods: >99.0%
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62319-70-4 / [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Standard CAS: 62319-70-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
62319-70-4
Multi CAS
Yes
Molecular Formula
C36H58O11
Molecular Weight
666.800000
Exact Mass
666.397913
InChI
InChI=1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20-,21-,22-,23-,24-,25+,26-,27+,28+,29+,32+,33+,34-,35-,36+/m1/s1
InChIKey
CMZFNIMQBCBHEX-APNSOIJXSA-N

Physical Properties

Melting Point
209 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
8
Molar refractivity
169.1
TPSA
197.37

LogP / Solubility

WLOGP
1.41
MLOGP
1.29
XLogP3
2.7
Consensus LogP
1.8
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-5.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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