 Home > Encyclopedia > Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate

Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate

Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate structure

CAS No:
133585-55-4
Formula:
C31H40O11
Chemical Name:
Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate
Synonyms:
7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid,5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-,methyl ester,(1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-;D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid,3,12-bis(acetyloxy)-1,14:21,23-diepoxy-15-hydroxy-4,4-dimethyl-16-oxo-,methyl ester,(1α,3β,5β,12α,13α,14β,15β,17aα)-;Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate;Sandoricin

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Description

Sandoricin is an organooxygen compound. It derives from a tetracarboxylic acid.

Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate Basic Attributes

Molecular Weight：

588.6 g/mol

Exact Mass：

588.64

Characteristics

PSA：

148 Å²

Drug Information

MeSH Entry Terms：

sandoricin

Computed Properties

Molecular Weight:588.6
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:588.25706209
Monoisotopic Mass:588.25706209
Topological Polar Surface Area:148
Heavy Atom Count:42
Complexity:1180
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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