![CAS 97240-03-4 3β-[(2-O-α-L-Rhamnopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyoleana-12-ene-28-oic acid 6-O-(4-O-α-L-rhamnopyranosyl-6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/97240-03-4.gif)
CAS RN: 97240-03-4
3β-[(2-O-α-L-Rhamnopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyoleana-12-ene-28-oic acid 6-O-(4-O-α-L-rhamnopyranosyl-6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250129 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS97240-03-4
- Purity/Analytical Methods: >99.0%
97240-03-4 / [6-[[6-(acetyloxymethyl)-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Basic Information
CAS
97240-03-4
Multi CAS
Yes
Molecular Formula
C61H98O27
Molecular Weight
1263.400000
Exact Mass
1262.629548
InChI
InChI=1S/C61H98O27/c1-25-36(65)40(69)44(73)51(81-25)86-48-32(23-78-27(3)63)84-50(47(76)43(48)72)80-22-31-39(68)42(71)46(75)53(83-31)88-55(77)61-18-16-56(4,5)20-29(61)28-10-11-34-57(6)14-13-35(58(7,24-62)33(57)12-15-60(34,9)59(28,8)17-19-61)85-54-49(38(67)30(64)21-79-54)87-52-45(74)41(70)37(66)26(2)82-52/h10,25-26,29-54,62,64-76H,11-24H2,1-9H3
InChIKey
YYMHTAGTVKFQOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
88
Fraction Csp3
0.93
Rotatable bonds
14
H-bond acceptors
27
H-bond donors
14
Molar refractivity
297.57
TPSA
418.89
LogP / Solubility
WLOGP
-1.97
MLOGP
-1.61
XLogP3
-1.4
Consensus LogP
-1.66
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.91
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
No
Log Kp (skin permeation)
-11.83
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
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