 Home > Encyclopedia > 1-[8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl] 4-methyl 2-hydroxy-2,3-dimethylbutanedioate

1-[8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl] 4-methyl 2-hydroxy-2,3-dimethylbutanedioate

1-[8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl] 4-methyl 2-hydroxy-2,3-dimethylbutanedioate structure

CAS No:
131086-65-2
Formula:
C31H44O12
Chemical Name:
1-[8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl] 4-methyl 2-hydroxy-2,3-dimethylbutanedioate
Synonyms:
131086-65-2;(-)-Ajugachin B;DTXSID70927073;1-[8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl] 4-methyl 2-hydroxy-2,3-dimethylbutanedioate;Butanedioic acid, 2,3-dimethyl-, (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-3-hydroxy-5,6-dimethyl-5-((2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)spiro(naphthalene-1(2H),2'-oxiran)-2-yl methyl ester;Butanedioic acid, 2,3-dimethyl-, 8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)spiro(naphthalene-1(2H),2'-oxiran)-2-yl methyl ester, (1R-(1alpha,2beta,3alpha,4abeta,5beta(2S*,3aS*,6aS*),6alpha,8alpha,8aalpha))-(partial)-

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1-[8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl] 4-methyl 2-hydroxy-2,3-dimethylbutanedioate Basic Attributes

Molecular Weight：

608.7 g/mol

Exact Mass：

608.28327683 g/mol

Characteristics

PSA：

156 Å²

Computed Properties

Molecular Weight:608.7
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:12
Exact Mass:608.28327683
Monoisotopic Mass:608.28327683
Topological Polar Surface Area:156
Heavy Atom Count:43
Complexity:1190
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl] 4-methyl 2-hydroxy-2,3-dimethylbutanedioate

Basic Attributes
Characteristics
Computed Properties
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