 Home > Encyclopedia > Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)-

Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)-

Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)- structure

CAS No:
50645-63-1
Formula:
C26H36O9
Chemical Name:
Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)-
Synonyms:
Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol,8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-,diacetate,(1R,2R,4aR,5S,6R,8S,8aR)-;Caryoptinol,acetate;Furo[2,3-b]furan,caryoptinol deriv.;Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol,8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)-,diacetate,[1R-[1α,2α,4aβ,5β(2S*,3aS*,6aS*),6α,8α,8aα]]-;Caryoptin

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Description

ChEBI: A diterpenoid isolated from Caryopteris divaricata.

Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)- Basic Attributes

Molecular Weight：

492.55864

Exact Mass：

492.56

DSSTox ID：

DTXSID50331715

Characteristics

PSA：

110

XLogP3：

2.6

Computed Properties

Molecular Weight:492.6
XLogP3:2.6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:492.23593272
Monoisotopic Mass:492.23593272
Topological Polar Surface Area:110
Heavy Atom Count:35
Complexity:932
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)-

Description
Basic Attributes
Characteristics
Computed Properties

Spiro[naphthalene-1(2H),2′-oxirane]-2,8-diol, 8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2R,4aR,5S,6R,8S,8aR)-

SDS

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