CAS 90851-24-4 [(E)-5-[[(1R,4aβ)-Decahydro-6α-hydroxy-5β-(hydroxymethyl)-5,8aα-dimethyl-2-methylenenaphthalen]-1α-yl]-3-methyl-2-pentenyl]β-D-glucopyranoside molecular structure

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CAS RN: 90851-24-4

[(E)-5-[[(1R,4aβ)-Decahydro-6α-hydroxy-5β-(hydroxymethyl)-5,8aα-dimethyl-2-methylenenaphthalen]-1α-yl]-3-methyl-2-pentenyl]β-D-glucopyranoside

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250723	1mg	Out of stock	30 business days	Inquiry

Product code: starshine_CAS90851-24-4
Purity/Analytical Methods: >99.0%

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90851-24-4 / (2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 90851-24-4 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

90851-24-4

Multi CAS

Yes

Molecular Formula

C26H44O8

Molecular Weight

484.600000

Exact Mass

484.303618

InChI

InChI=1S/C26H44O8/c1-15(10-12-33-24-23(32)22(31)21(30)18(13-27)34-24)5-7-17-16(2)6-8-19-25(17,3)11-9-20(29)26(19,4)14-28/h10,17-24,27-32H,2,5-9,11-14H2,1,3-4H3/b15-10+

InChIKey

JAFZKPLEKRHFFD-XNTDXEJSSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.85

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

126.6

TPSA

139.84

LogP / Solubility

WLOGP

1.27

MLOGP

1.15

XLogP3

2.3

Consensus LogP

1.57

Log S (ESOL)

-3.12

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.45

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.83

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

Yes

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.77

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

7.5

[(E)-5-[[(1R,4aβ)-Decahydro-6α-hydroxy-5β-(hydroxymethyl)-5,8aα-dimethyl-2-methylenenaphthalen]-1α-yl]-3-methyl-2-pentenyl]β-D-glucopyranoside

Product Availability

90851-24-4 / (2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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