6-hydroxysporotricale
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| Category | Others |
| Catalog number | BBF-05651 |
| CAS | 919361-42-5 |
| Molecular Weight | 422.51 |
| Molecular Formula | C23H34O7 |
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Description
It is isolated from cultures in vitro of Sporotrichum laxum.
Specification
| Synonyms | 1(3H)-Isobenzofuranone, 4,5-dihydroxy-3-[(13R)-13-hydroxy-10-oxotetradecyl]-7-methoxy-, (3R)-; (R)-4,5-dihydroxy-3-((R)-13-hydroxy-10-oxotetradecyl)-7-methoxyisobenzofuran-1(3H)-one |
| IUPAC Name | (3R)-4,5-dihydroxy-3-[(13R)-13-hydroxy-10-oxotetradecyl]-7-methoxy-3H-2-benzofuran-1-one |
| Canonical SMILES | CC(CCC(=O)CCCCCCCCCC1C2=C(C(=CC(=C2C(=O)O1)OC)O)O)O |
| InChI | InChI=1S/C23H34O7/c1-15(24)12-13-16(25)10-8-6-4-3-5-7-9-11-18-20-21(23(28)30-18)19(29-2)14-17(26)22(20)27/h14-15,18,24,26-27H,3-13H2,1-2H3/t15-,18-/m1/s1 |
| InChI Key | LWNNVKZBAGYIMH-CRAIPNDOSA-N |
Properties
| Boiling Point | 630.4±55.0°C at 760 mmHg |
| Density | 1.2±0.1 g/cm3 |
Reference Reading
1. Absolute configuration of sporotricale and structure of 6-hydroxysporotricale
Adriana Bava, Sabrina Dallavalle, Giovanni Fronza, Gianluca Nasini, Orso Vajna de Pava J Nat Prod. 2006 Dec;69(12):1793-5. doi: 10.1021/np060212v.
The absolute configuration of the two stereocenters of (+)-sporotricale (2a), a bioactive phthalide secondary metabolite, was determined through circular dichroism and by applying Mosher's method. The structure of 6-hydroxysporotricale (2c), isolated from cultures in vitro of Sporotrichum laxum, was also elucidated.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
