 Home > Encyclopedia > [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (3S)-3-ethyl-3-hydroxy-4-methylpentanoate

[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (3S)-3-ethyl-3-hydroxy-4-methylpentanoate

[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (3S)-3-ethyl-3-hydroxy-4-methylpentanoate structure

CAS No:
160791-11-7
Formula:
C28H40O10
Chemical Name:
[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (3S)-3-ethyl-3-hydroxy-4-methylpentanoate
Synonyms:
Peninsularinone;NSC-676836;NSC676836;160791-11-7;(-)-Peninsularinone;(?)-Peninsularinone;CHEMBL553342;DTXSID90327677;NCI60_027283;Picras-3-ene-2, 11,20-epoxy-15-[[(3S)-3-ethyl- 3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-, (1.beta.,11.beta.,12.alpha.,15.beta.)-

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[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (3S)-3-ethyl-3-hydroxy-4-methylpentanoate Basic Attributes

Molecular Weight：

536.6 g/mol

Exact Mass：

536.26214747 g/mol

NSC Number：

676836

DSSTox ID：

DTXSID90327677

Characteristics

PSA：

160 Å²

Computed Properties

Molecular Weight:536.6
XLogP3:1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:536.26214747
Monoisotopic Mass:536.26214747
Topological Polar Surface Area:160
Heavy Atom Count:38
Complexity:1090
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl t-butyl ether; sodium hypobromite; acetic acid formula; p4o10 compound name; isopropyl ether; hongdenafil

Guide of [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (3S)-3-ethyl-3-hydroxy-4-methylpentanoate

Basic Attributes
Characteristics
Computed Properties

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