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CAS 71699-08-6 3β-[(6-Deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-oxo-8,15-cyclo-14,15-seco-5β-card-20(22)-enolide molecular structure lightbox
CAS RN: 71699-08-6

3β-[(6-Deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-oxo-8,15-cyclo-14,15-seco-5β-card-20(22)-enolide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS71699-08-6
  • Purity/Analytical Methods: >99.0%
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71699-08-6 / 3-[6-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one

Standard CAS: 71699-08-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71699-08-6
Multi CAS
Yes
Molecular Formula
C30H44O8
Molecular Weight
532.700000
Exact Mass
532.303618
InChI
InChI=1S/C30H44O8/c1-16-23(32)25(35-4)24(33)26(37-16)38-19-6-9-28(2)18(14-19)5-11-30-12-7-20(17-13-22(31)36-15-17)29(3,27(30)34)10-8-21(28)30/h13,16,18-21,23-26,32-33H,5-12,14-15H2,1-4H3
InChIKey
SWTJRDUVJNXNMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
136.74
TPSA
111.52

LogP / Solubility

WLOGP
3.32
MLOGP
2.96
XLogP3
2.6
Consensus LogP
2.96
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.36
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)
-3.61

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
10

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