 Home > Encyclopedia > (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol

(2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol

(2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol structure

CAS No:
217476-92-1
Formula:
C34H44O6
Chemical Name:
(2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol
Synonyms:
schweinfurthin A;Schweinfurthin A;217476-92-1;SCHEMBL847068;CHEMBL232644;DTXSID80349186;NSC696119;NSC-696119;(2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol;(2S,3R,4aR,9aR)-7-((E)-2-{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}vinyl)-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3,5-triol;1H-xanthene-2,3,5-triol, 7-[(E)-2-[4-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-1,1,4a-trimethyl-, (2S,3R,4aR,9aR)-;1H-Xanthene-2,5-triol, 2,3,4,4a,9,9a-hexahydro-1,1,4a-trimethyl- 7-[2-[3,5-dihydroxy-4-(5,7-dimethyl- 2,6-octadienyl)phenyl]ethenyl]-

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(2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol Basic Attributes

Molecular Weight：

548.7 g/mol

Exact Mass：

548.31378912 g/mol

NSC Number：

696119

DSSTox ID：

DTXSID80349186

Characteristics

PSA：

110 Å²

Drug Information

MeSH Entry Terms：

schweinfurthin A

Computed Properties

Molecular Weight:548.7
XLogP3:7.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:548.31378912
Monoisotopic Mass:548.31378912
Topological Polar Surface Area:110
Heavy Atom Count:40
Complexity:938
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methanol structure; linea semilunaris; p aminobenzoic acid; propylene carbonate; acetate molecular formula; cineole

Guide of (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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