Cas no 69091-17-4 (Beta-Acetoxyisovalerylshikonin)

Beta-Acetoxyisovalerylshikonin structure

69091-17-4 structure

Product Name:Beta-Acetoxyisovalerylshikonin

CAS No:69091-17-4

MF:C₂₃H₂₆O₈

MW:430.4477

CID:1080319

PubChem ID:155245

Update Time:2024-10-28

Beta-Acetoxyisovalerylshikonin Chemical and Physical Properties

Names and Identifiers

- (1S)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-(acetyloxy)-3-methylbutanoate
- Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)-
- Alkannin-3-methyl-3-acetoxy-buttersaeureester
- β-acetoxy isovaleryl alkannin
- Acetoxyisovalerylshikonin, β-
- ACETOXYISOVALERYLALKANNIN
- 1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-acetoxy-3-methylbutanoate
- (S)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-acetoxy-3-methylbutanoate
- beta-Acetoxyisovalerylshinkonin
- [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-acetyloxy-3-methylbutanoate
- Beta-Acetoxyisovalerylshikonin
- AC-35001
- (S)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl3-acetoxy-3-methylbutanoate
- HY-N2188
- AKOS030532770
- Acetoxyisovalerylshikonin,
- 69091-17-4
- MS-27645
- A-
- DTXSID60219131
- [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-acetyloxy-3-methylbutanoate
- CS-0019496
- DA-70497
- AcetoxyisovalerylalkanninButanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)-; (S)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-acetoxy-3-methylbutanoate
- beta-Acetoxyisovalerylalkannin
- 1ST167722
- DTXCID80141622
- ((1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl) 3-acetyloxy-3-methylbutanoate
- Inchi： 1S/C23H26O8/c1-12(2)6-9-18(30-19(28)11-23(4,5)31-13(3)24)14-10-17(27)20-15(25)7-8-16(26)21(20)22(14)29/h6-8,10,18,25-26H,9,11H2,1-5H3
- InChI Key： BQSAGDWOHVQNFB-UHFFFAOYSA-N
- SMILES： O(C(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])OC(C([H])([H])[H])=O)=O)C([H])(C([H])([H])/C(/[H])=C(\C([H])([H])[H])/C([H])([H])[H])C1=C([H])C(C2=C(C([H])=C([H])C(=C2C1=O)O[H])O[H])=O

Computed Properties

Exact Mass: 430.16300
Monoisotopic Mass: 430.163
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 8
Heavy Atom Count: 31
Rotatable Bond Count: 9
Complexity: 802
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 127
Molecular Weight: 430.4
XLogP3: 4

Experimental Properties

Color/Form: Red powder
Density: 1.284±0.06 g/cm3 (20 oC 760 Torr),
Boiling Point: 583.6°C at 760 mmHg
Flash Point: 196.5°C
Refractive Index: 1.572
Solubility: Insuluble (3.8E-3 g/L) (25 oC),
PSA: 127.20000
LogP: 3.40310
Vapor Pressure: 0.0±1.7 mmHg at 25°C

Beta-Acetoxyisovalerylshikonin Security Information

Signal Word：warning
Hazard Statement： H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation
Warning Statement： P264 wash thoroughly after treatment
p280 wear protective gloves / wear protective clothing / wear protective eye masks / wear protective masks
p305 if in eyes
p351 rinse carefully with water for a few minutes
p338 remove contact lenses (if any) and easy to operate, continue rinsing
p337 if eye irritation persists
p2393 get medical advice / care
Safety Instruction： H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation
Storage Condition：Please store the product under the recommended condition sin the description

Beta-Acetoxyisovalerylshikonin Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
MedChemExpress	HY-N2188-5mg	Beta-Acetoxyisovalerylshikonin	69091-17-4	99.62%	5mg	￥1200	2025-04-16
MedChemExpress	HY-N2188-10mg	Beta-Acetoxyisovalerylshikonin	69091-17-4	99.62%	10mg	￥1850	2025-04-16
MedChemExpress	HY-N2188-25mg	Beta-Acetoxyisovalerylshikonin	69091-17-4	99.62%	25mg	￥3350	2025-04-16
MedChemExpress	HY-N2188-50mg	Beta-Acetoxyisovalerylshikonin	69091-17-4	99.62%	50mg	￥5000	2025-04-16
Alichem	A219006625-25mg	(S)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-acetoxy-3-methylbutanoate	69091-17-4	97%	25mg	$452.17	2023-09-01
ChemFaces	CFN92025-20mg	Acetoxyisovalerylalkannin	69091-17-4	>=98%	20mg	$138	2023-09-19
Chengdu Biopurify Phytochemicals Ltd	BP3409-10mg	β-acetoxyisovalerylalkannin	69091-17-4	98%	10mg	$96	2023-09-20
Chengdu Biopurify Phytochemicals Ltd	BP3409-20mg	β-acetoxyisovalerylalkannin	69091-17-4	98%	20mg	$160	2023-09-20
Chengdu Biopurify Phytochemicals Ltd	BP3409-5mg	β-acetoxyisovalerylalkannin	69091-17-4	98%	5mg	$96	2022-04-26
TRC	B298605-2.5mg	b-Acetoxyisovalerylalkannin	69091-17-4		2.5mg	$ 170.00	2022-06-07

Beta-Acetoxyisovalerylshikonin Suppliers

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(CAS:69091-17-4)Acetoxyisovalerylalkannin

Order Number:CRN0568

Stock Status:in stock

Quantity:5mg/20mg/50mg

Purity:≥98%

Pricing Information Last Updated:Friday, 14 March 2025 10:55

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