 Home > Encyclopedia > (4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione

(4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione

(4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione structure

CAS No:
172854-77-2
Formula:
C30H42O6
Chemical Name:
(4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione
Synonyms:
sodwanone G;Sodwanone G;172854-77-2;CHEMBL469634;SCHEMBL8811779;DTXSID90938222;(4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione;2,7(1H,3H)-Naphthalenedione, 4,4a-dihydro-8-hydroxy-1,1,4a,6-tetramethyl-5-(2-(2,3,4,5,5a,8,9,9a-octahydro-2,2,5a-trimethyl-3-oxospiro(1-benzoxepin-7(6H),2'-oxiran)-6-yl)ethyl)-,(5aalpha,6alpha(S*),7beta,9abeta)-(-)-;8-Hydroxy-1,1,4a,6-tetramethyl-5-[2-(2,2,5a-trimethyl-3-oxooctahydro-6H-spiro[1-benzoxepine-7,2'-oxiran]-6-yl)ethyl]-4,4a-dihydronaphthalene-2,7(1H,3H)-dione

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(4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione Basic Attributes

Molecular Weight：

498.6 g/mol

Exact Mass：

498.29813906 g/mol

Characteristics

PSA：

93.2 Å²

Drug Information

MeSH Entry Terms：

sodwanone G

Computed Properties

Molecular Weight:498.6
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:498.29813906
Monoisotopic Mass:498.29813906
Topological Polar Surface Area:93.2
Heavy Atom Count:36
Complexity:1110
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4aR)-5-[2-[(5aS,6S,7S,9aS)-2,2,5a-trimethyl-3-oxospiro[4,5,6,8,9,9a-hexahydrobenzo[b]oxepine-7,2'-oxirane]-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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