[email protected]
CAS 26020-14-4 b-D-Glucopyranosiduronic acid,(3b)-17-carboxy-28-norolean-12-en-3-yl molecular structure lightbox
CAS RN: 26020-14-4

b-D-Glucopyranosiduronic acid,(3b)-17-carboxy-28-norolean-12-en-3-yl

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260426 5mg Out of stock Inquiry
  • Product code: starshine_CAS26020-14-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

26020-14-4 / (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Standard CAS: 26020-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26020-14-4
Multi CAS
No
Molecular Formula
C36H56O9
Molecular Weight
632.800000
Exact Mass
632.392433
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
InChI
InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1
InChIKey
IUCHKMAZAWJNBJ-RCYXVVTDSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
5
Molar refractivity
165.86
TPSA
153.75

LogP / Solubility

WLOGP
5.15
MLOGP
4.58
XLogP3
6.1
Consensus LogP
5.28
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-8.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.92

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

Customers Also Viewed

Get In Touch

Contact Us