[email protected]
CAS 27335-85-9 (20ξ,24ξ)-2β,3β,14,20,22,28-Hexahydroxy-6-oxo-5β-stigmast-7-en-26-oic acid δ-lactone molecular structure lightbox
CAS RN: 27335-85-9

(20ξ,24ξ)-2β,3β,14,20,22,28-Hexahydroxy-6-oxo-5β-stigmast-7-en-26-oic acid δ-lactone

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250706 1mg Out of stock Inquiry
Batchno.20250627 5mg Out of stock Inquiry
  • Product code: starshine_CAS27335-85-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

27335-85-9 / 4-(1-hydroxyethyl)-6-[1-hydroxy-1-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-3-methyloxan-2-one

Standard CAS: 27335-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27335-85-9
Multi CAS
No
Molecular Formula
C29H44O8
Molecular Weight
520.700000
Exact Mass
520.303618
SMILES
CC1C(CC(OC1=O)C(C)(C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O)C(C)O
InChI
InChI=1S/C29H44O8/c1-14-16(15(2)30)10-24(37-25(14)34)28(5,35)23-7-9-29(36)18-11-20(31)19-12-21(32)22(33)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,30,32-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
InChIKey
RPCTUYZLPGGPJD-YSEUJXISSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
5
Molar refractivity
133.9
TPSA
144.52

LogP / Solubility

WLOGP
1.89
MLOGP
1.7
XLogP3
1
Consensus LogP
1.53
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
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)
-4.55

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us