Schweinfurthin B
Basic information
- CAS
217476-93-2- Standard SMILES
COc1cc(/C=C/c2cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2- InChIKey
UPTXDGJFJGCFDE-NASSATPLSA-N- Molecular formula
- C35H46O6
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.32943918
Overview
Schweinfurthin B has been reported in Macaranga schweinfurthii with data available.
Names & identifiers
- Preferred name
- Schweinfurthin B
- IUPAC
- (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
Names & synonyms
Schweinfurthin B217476-93-2DTXSID40349187(2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol(2S,3R,4aR,9aR)-7-((E)-2-(4-((2E)-3,7-dimethylocta-2,6-dienyl)-3,5-dihydroxyphenyl)ethenyl)-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diolRefChem:181868DTXCID00300259NSC696118SCHEMBL847454CHEMBL232243NSC-696118(2S,3R,4aR,9aR)-7-((E)-2-{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}vinyl)-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol
Show more names
(2S,3R,4aR,9aR)-7-[(E)-2-{4-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}ethen-1-yl]-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol1H-xanthene-2,3-diol, 7-[(E)-2-[4-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-5-methoxy-1,1,4a-trimethyl-, (2S,3R,4aR,9aR)-InChI=1/C35H46O6/c1-21(2)9-8-10-22(3)11-14-26-27(36)16-24(17-28(26)37)13-12-23-15-25-19-31-34(4,5)33(39)29(38)20-35(31,6)41-32(25)30(18-23)40-7/h9,11-13,15-18,29,31,33,36-39H,8,10,14,19-20H2,1-7H3/b13-12+,22-11+/t29-,31-,33-,35-/m1/s
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 954
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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