Angeloylgomisin H

C28H36O8CAS 66056-22-2500.59 g/mol

Open in Covalent MOL file
OOOOOOOOH
AlcoholAlkeneEsterEther

Properties

Molecular formula
C28H36O8
Molar mass
500.59 g/mol
Exact mass
500.2410 Da
logP
4.75Crippen estimate
Polar surface area
92.7 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
7

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
66056-22-2
SMILES
CC=C(C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)CC(C)(O)C(C)C2
InChIKey
ZSAUXCVJDYCLRS-UHFFFAOYSA-N
InChI
InChI=1S/C28H36O8/c1-10-15(2)27(29)36-26-21-17(12-19(31-5)24(26)34-8)11-16(3)28(4,30)14-18-13-20(32-6)23(33-7)25(35-9)22(18)21/h10,12-13,16,30H,11,14H2,1-9H3

Weigh it out

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

Names and synonyms

4 names
  • 2-Butenoic acid, 2-methyl-, (6S,7S,12aR)-5,6,7,8-tetrahydro-7-hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyldibenzo[a,c]cycloocten-1-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-7-hydroxy-2,3,10,11,12-pentamethoxy-6,7-dimethyldibenzo[a,c]cycloocten-1-yl ester, stereoisomer
  • Dibenzo[a,c]cyclooctene, 2-butenoic acid deriv.
  • (+)-Angeloylgomisin H

Work with Angeloylgomisin H

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

Schisandrin7432-28-268 % similar Gomisin A58546-54-661 % similar Schisantherin B58546-55-758 % similar Angeloylgomisin O83864-69-148 % similar Schisantherin A58546-56-840 % similar Gomisin G62956-48-340 % similar Gomisin D60546-10-339 % similar Schisanhenol69363-14-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Qingyangshengenin84745-94-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook