 Home > Encyclopedia > (1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-2,6,11-Tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one

(1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-2,6,11-Tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one

(1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-2,6,11-Tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one structure

CAS No:
66656-91-5
Formula:
C26H34O9
Chemical Name:
(1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-2,6,11-Tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one
Synonyms:
Oxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one,2,6,11-tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methylene-,(1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-;Oxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one,2,6,11-tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methylene-,[1aS-(1aR*,2S*,4E,6R*,8E,11S*,11aS*,14aR*,14bR*)]-;(1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-2,6,11-Tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one;Crassolide;Crassolide (Lobophytum)

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Description

ChEBI: A cembrane diterpenoid isolated from Lobophytum michaelae and has been shown to exhibit cytotoxic activity.

(1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-2,6,11-Tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one Basic Attributes

Molecular Weight：

490.54276

Exact Mass：

490.54

Characteristics

PSA：

118

XLogP3：

2.3

Density：

1.22±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

2,6,11-tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno(13,14)cyclotetradeca(1,2-b)furan-13(1aH)-one

Computed Properties

Molecular Weight:492.6
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:492.23593272
Monoisotopic Mass:492.23593272
Topological Polar Surface Area:121
Heavy Atom Count:35
Complexity:935
Undefined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: diclofenac sodium 75 mg; l methionine; teriparatide brand name; ca hypochlorite; oxycycline; dimethyl sulfone

Guide of (1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-2,6,11-Tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

(1aS,2R,4E,6S,8E,11R,11aR,14aS,14bS)-2,6,11-Tris(acetyloxy)-2,3,6,7,10,11,11a,12,14a,14b-decahydro-1a,5,9-trimethyl-12-methyleneoxireno[13,14]cyclotetradeca[1,2-b]furan-13(1aH)-one

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