3,4-Diacetoxyscirpen-15-ol

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Basic information

CAS: 6200-90-4
Standard SMILES: CC(=O)OC1C2OC3C=C(C)CCC3(CO)C(C)(C1OC(C)=O)C21CO1
InChIKey: INNGXXRVGHCNRI-UHFFFAOYSA-N
Molecular formula: C19H26O7
Average molar mass: 366.4 g/mol
Monoisotopic mass: 366.16785316

Overview

3,4-Diacetoxyscirpen-15-ol has been reported in Cordyceps tenuipes with data available.

Names & identifiers

Preferred name: 3,4-Diacetoxyscirpen-15-ol
IUPAC: [11-acetyloxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate

Names & synonyms

NSC2831503,4-Diacetoxyscirpen-15-olDTXSID60977542ANGUIDINE DERIV (3,4-DIACETOXYSCIRPNE-15-OL)15-Hydroxy-12,13-epoxytrichothec-9-ene-3,4-diyl diacetate

Database identifiers

CAS: 6200-90-4
PubChem CID: 323378
DTXSID: DTXSID60977542

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 687

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Compound notes

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