chempirical

Podophyllum (resin)

C88H92O34CAS 9000-55-91693.67 g/mol

Open in Covalent MOL file
OOOOOOOOHOOOOOOOOHOOOOOOHOHOHOOOOOOOHOHOHO
AcetalAlcoholCarboxylic acidEsterEtherLactone

Properties

Molecular formula
C88H92O34
Molar mass
1693.67 g/mol
Exact mass
1692.5470 Da
logP
8.68Crippen estimate
Polar surface area
433.2 Ų
H-bond donors / acceptors
8 / 32
Rotatable bonds
20

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
9000-55-9
SMILES
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O
InChIKey
KOUZYZCESNTXJO-UHFFFAOYSA-N
InChI
InChI=1S/2C22H24O9.2C22H22O8/c2*1-27-16-4-10(5-17(28-2)21(16)29-3)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(25)26;2*1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h2*4-7,13,18-20,23-24H,8-9H2,1-3H3,(H,25,26);2*4-7,13,18-20,23H,8-9H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Podophyllin
  • Resins, podophyllum
  • Podophyllum, resin
  • Podophyllum (the resin)
  • Podophyllum, resins of
  • Mayapple resin
  • Resins podophyllum
  • Podocon 25
  • Podophyllum resins

Work with Podophyllum (resin)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Picropodophyllin477-47-481 % similar Podophyllotoxin518-28-581 % similar 4'-Demethylpodophyllotoxin40505-27-969 % similar (-)-4′-Demethylepipodophyllotoxin6559-91-769 % similar Podophyllotoxin glucoside16481-54-263 % similar Etoposide33419-42-046 % similar Etoposide phosphate117091-64-245 % similar Teniposide29767-20-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook