Cas no 7415-78-3 (Alkannin-beta-hydroxyisovalerate)
7415-78-3 structure
Product Name:Alkannin-beta-hydroxyisovalerate
CAS No:7415-78-3
MF:C21H24O7
MW:388.4111
MDL:MFCD04038036
CID:566964
PubChem ID:479502
Update Time:2025-07-28
Alkannin-beta-hydroxyisovalerate Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-hydroxy-3-methyl-,(1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-ylester
- β-hydroxylsovalerylshikonin
- BETA-HYDROXYISOVALERYLSHIKONIN
- β-HYDROXYISOVALERYLSHIKONIN
- Beta-Hydroxylsovalerylshikonin
- 3-Hydroxy-3-methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalene)-2-yl]-4-methyl-3-pentenyl ester
- 5,8-Dihydroxy-2-[(R)-1-[(3-hydroxy-3-methylbutanoyl)oxy]-4-methyl-3-pentenyl]-1,4-naphthalenedione
- β-HYDROXYISOVALERYSHIKONIN
- NSC 110263
- beta-HIVS
- 3-Hydroxy-3-methylbutanoic acid (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
- Alkannin-beta-hydroxyisovalerate
- 1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-hydroxy-3-methylbutanoate
- MXANJRGHSFELEJ-UHFFFAOYSA-
- Alkannin-.beta.-hydroxyisovalerate
- NSC110263
- NSC373954
- [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-en
- -Hydroxyisovalerylshikonin
- CS-0032419
- 7415-78-3
- 3'-Hydroxyisovalerylshikonin
- MS-26439
- SCHEMBL842120
- HY-N4201
- [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate
- (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-hydroxy-3-methylbutanoate
- AKOS037515319
- NSC 373954
- 87798-74-1
- [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate
- A-hydroxylsovalerylshikonin
- BCP34280
- NSC-110263
- 3'-Hydroxyisovalerylshikonin; (c)micro-Hydroxyisovalerylshikonin
- InChI=1/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3
- 1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-hydroxy-3-methylbutanoate
- NSC-373954
-
- MDL： MFCD04038036
- Inchi： 1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3
- InChI Key： MXANJRGHSFELEJ-UHFFFAOYSA-N
- SMILES： O(C(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])O[H])=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: 388.15200
- Monoisotopic Mass: 388.15220310 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 700
- 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
- Molecular Weight: 388.4
- XLogP3: 3.4
- Topological Polar Surface Area: 121
Experimental Properties
- Color/Form: Powder
- Density: 1.312±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 90-92 oC
- Boiling Point: 616.9°C at 760 mmHg
- Flash Point: 215.8°C
- Refractive Index: 1.596
- Solubility: Almost insoluble (0.031 g/l) (25 o C),
- PSA: 121.13000
- LogP: 2.83230
Alkannin-beta-hydroxyisovalerate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| MedChemExpress | HY-N4201-1mg |
β-Hydroxyisovalerylshikonin |
7415-78-3 | 99.83% | 1mg |
￥1710 | 2025-04-16 | |
| MedChemExpress | HY-N4201-5mg |
β-Hydroxyisovalerylshikonin |
7415-78-3 | 99.83% | 5mg |
￥5140 | 2025-04-16 | |
| ChemScence | CS-0032419-1mg |
β-Hydroxyisovalerylshikonin |
7415-78-3 | 99.83% | 1mg |
$171.0 | 2022-04-26 | |
| ChemScence | CS-0032419-5mg |
β-Hydroxyisovalerylshikonin |
7415-78-3 | 99.83% | 5mg |
$514.0 | 2022-04-26 | |
| Chengdu Biopurify Phytochemicals Ltd | BP3943-10mg |
Beta-Hydroxylsovalerylshikonin |
7415-78-3 | 98% | 10mg |
$260 | 2023-09-20 | |
| Chengdu Biopurify Phytochemicals Ltd | BP3943-5mg |
Beta-Hydroxylsovalerylshikonin |
7415-78-3 | 98% | 5mg |
$150 | 2023-09-20 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H11180-5mg |
β-HYDROXYISOVALERYLSHIKONIN |
7415-78-3 | ,HPLC≥98% | 5mg |
￥1238.0 | 2023-09-07 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce60254-1mg |
β-Hydroxyisovalerylshikonin |
7415-78-3 | 98% | 1mg |
￥0.00 | 2023-09-07 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce60254-5mg |
β-Hydroxyisovalerylshikonin |
7415-78-3 | 98% | 5mg |
￥0.00 | 2023-09-07 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1440-1 mg |
Beta-Hydroxyisovalerylshikonin |
7415-78-3 | 99.59% | 1mg |
￥1575.00 | 2022-04-26 |
Alkannin-beta-hydroxyisovalerate Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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