 Home > Encyclopedia > (3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

(3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

(3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one structure

CAS No:
24164-12-3
Formula:
C17H22O4
Chemical Name:
(3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
Synonyms:
Cyclodeca[b]furan-2(3H)-one,4-(acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-,(3aR,4S,6E,10E,11aR)-;Germacra-1(10),4,11(13)-trien-12-oic acid,6α,8α-dihydroxy-,12,6-lactone,acetate,(E,E)-;Cyclodeca[b]furan-2(3H)-one,4-(acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-,[3aR-(3aR*,4S*,6E,10E,11aR*)]-;(3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one;Tulipinolide;Chamissanthin acetate;(+)-Tulipinolide;31655-59-1

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Description

ChEBI: A germacranolide based on a 2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl skeleton.

Tulipinolide is a germacranolide based on a 2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl skeleton. It has a role as an allergen and a metabolite.

(3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one Basic Attributes

Molecular Weight：

290.359

Exact Mass：

290.35

DSSTox ID：

DTXSID90415129

Characteristics

PSA：

52.6

XLogP3：

2.4

Computed Properties

Molecular Weight:290.4
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:290.15180918
Monoisotopic Mass:290.15180918
Topological Polar Surface Area:52.6
Heavy Atom Count:21
Complexity:527
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

Description
Basic Attributes
Characteristics
Computed Properties

(3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

SDS

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