 Home > Encyclopedia > (4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione

(4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione

(4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione structure

CAS No:
89020-33-7
Formula:
C28H32O9
Chemical Name:
(4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione
Synonyms:
4H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione,4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-,(4aR,6aR,12aS,12bS)-;4H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione,4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-,[4aR-(4aα,6aβ,12aα,12bβ)]-;(4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione;Territrem C

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(4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione Basic Attributes

Molecular Weight：

512.5 g/mol

Exact Mass：

512.55

Characteristics

PSA：

132 Å²

Drug Information

MeSH Entry Terms：

4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,5-dimethoxy-4-hydroxyphenyl)-4H,11H-naphtho(2.1-b)pyrano(3,4-e)pyran-1,11(5H)-dione

Computed Properties

Molecular Weight:512.5
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:512.20463259
Monoisotopic Mass:512.20463259
Topological Polar Surface Area:132
Heavy Atom Count:37
Complexity:1110
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: nateglinide; peg 40; zinc carbonate; calcium nitride; phosphorus pentachloride formula; epichlorohydrin

Guide of (4aR,6aR,12aS,12bS)-4a,6,6a,12,12a,12b-Hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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