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CAS 7716-14-5 (1S)-1,2,3,4,4a,5,6,6aα,7,11,11aβ,11b-Dodecahydro-4,4,7,11bα-tetramethylphenanthro[3,2-b]furan-1,4aβ,5β,6α,7α-pentol molecular structure lightbox
CAS RN: 7716-14-5

(1S)-1,2,3,4,4a,5,6,6aα,7,11,11aβ,11b-Dodecahydro-4,4,7,11bα-tetramethylphenanthro[3,2-b]furan-1,4aβ,5β,6α,7α-pentol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS7716-14-5
  • Purity/Analytical Methods: >99.0%
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7716-14-5 / (1S,4aR,5S,6R,6aS,7S,11aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-1,4a,5,6,7-pentol

Standard CAS: 7716-14-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7716-14-5
Multi CAS
Yes
Molecular Formula
C20H30O6
Molecular Weight
366.400000
Exact Mass
366.204239
InChI
InChI=1S/C20H30O6/c1-17(2)7-5-13(21)18(3)11-9-12-10(6-8-26-12)19(4,24)14(11)15(22)16(23)20(17,18)25/h6,8,11,13-16,21-25H,5,7,9H2,1-4H3/t11-,13-,14-,15+,16-,18-,19+,20+/m0/s1
InChIKey
UEXXTJMWLNVGOF-UNZQKMDISA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.8
H-bond acceptors
6
H-bond donors
5
Molar refractivity
93.06
TPSA
114.29

LogP / Solubility

WLOGP
0.93
MLOGP
0.84
XLogP3
0.4
Consensus LogP
0.72
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.81
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)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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