Basic information
- CAS
29953-50-2- Standard SMILES
CC1=CC2OC3CC4OC(=O)/C=C\C=C\C5OC(C/C(C)=C\C(=O)OCC2(CC1)C4(C)C31CO1)OC5C- InChIKey
IWFOIUWPNYEUAI-DEBSQDJHSA-N- Molecular formula
- C29H36O8
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.2410181
Names & identifiers
- Preferred name
- Verrucarin-H
- IUPAC
- (12Z,19E,21Z)-5,13,17,26-tetramethylspiro[2,10,16,24,29-pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa-4,12,19,21-tetraene-27,2'-oxirane]-11,23-dione
- English name
- roridin H
- Molecular formula
- C29H36O8
- Molecular weight
- 512.595
Names & synonyms
CL-72-VB-sCL-72-VB-2Verrucarin-HIWFOIUWPNYEUAI-DEBSQDJHSA-NBS-1469Verrucarin-H; Roridin-H; NSC-274540roridin HRoridine Hverrucarin H2',3'-Didehydro-7'-deoxo-2'-deoxy-7',5'-(ethylideneoxy)verrucarin A2',3'-Didehydro-7'-deoxo-2'-deoxy-7',5'-(ethane-1,1-diyloxy)verrucarin A
Database identifiers
- CAS
29953-50-2- PubChem CID
- 5367641
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- solubility
- Dichloromethane: SolubleDMSO: SolubleEthanol: SolubleMethanol: Soluble
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 969924 Q0K · R969924Q0K
- RIDADR
- 3172 · 3172
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- I
- Toxicity
- 50 · mouse,LD50,intravenous,3mg/kg (3mg/kg),"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 198, 1981.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3172
- Toxicity
- mouse,LD50,intravenous,3mg/kg (3mg/kg),"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 198, 1981.
- hazard_class
- 6.1(a)
- packing_group
- I
Chemistry & industry
Applications
UsesRoridin H (Verrucarin H) is an antibiotic and can be isolated from Myrothecium verrucaria[1].
Suppliers1 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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