 Home > Encyclopedia > (8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid

(8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid

(8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid structure

CAS No:
58857-02-6
Formula:
C28H42O6
Chemical Name:
(8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid
Synonyms:
L-gluco-Non-8-enonic acid,3,7-anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-,(8E)-;2H-Pyran-2-acetic acid,6-[2-[2-[5-(6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl)-3-methyl-1,4-hexadienyl]-3-methylcyclopropyl]ethenyl]tetrahydro-4,5-dihydroxy-,[2S-[2α,4α,5β,6α[E[1R*,2R*[1E,3S*,4E,5(2S*,6S*)],3S*]]]]-;L-gluco-Non-8-enonic acid,3,7-anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadienyl]-3-methylcyclopropyl]-,(8E)-;(8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid;Ambruticin;W 7783;Antibiotic Acid S;Ambruticin S;(+)-Ambruticin;(+)-Ambruticin S;SMP 78 Acid S;NSC 328415;63077-10-1

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(8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid Basic Attributes

Molecular Weight：

474.634

Exact Mass：

474.63

Characteristics

PSA：

96.2

XLogP3：

4.43110

Density：

1.201g/cm3

Boiling Point：

611.5ºC at 760 mmHg

Flash Point：

194.8ºC

Refractive Index：

1.617

Toxicity：

LD50 intravenous in mouse: 315mg/kg

(8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid Use and Manufacturing

Antifungal.

Computed Properties

Molecular Weight:474.6
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:474.29813906
Monoisotopic Mass:474.29813906
Topological Polar Surface Area:96.2
Heavy Atom Count:34
Complexity:827
Undefined Atom Stereocenter Count:10
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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(8E)-3,7-Anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-L-gluco-non-8-enonic acid

SDS

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