Spathulene, ?-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22
Molecular Weight	202.3352
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC[C@@H]2[C@@H]1[C@H]3[C@@H](CCC2=C)C3(C)C

InChI

InChIKey=HDUMORZKKNOYSS-REWJHTLYSA-N

InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,11-14H,1,6-8H2,2-4H3/t11-,12+,13+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H22
Molecular Weight	202.3352
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:05:13 GMT 2025` Edited by `admin` on `Wed Apr 02 07:05:13 GMT 2025`
Record UNII	TB6UA4EHU7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

?-Spathulene

Preferred Name

English

Spathulene, ?-

Common Name

English

(1aR,4aR,7aR,7bR)-1a,2,3,4,4a,5,7a,7b-Octahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulene

Systematic Name

English

1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7aR,7bR)-

Systematic Name

English

1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a?,4a?,7a?,7b?)]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

15923779

Created by admin on Wed Apr 02 07:05:13 GMT 2025 , Edited by admin on Wed Apr 02 07:05:13 GMT 2025

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EPA CompTox

DTXSID601115098

Created by admin on Wed Apr 02 07:05:13 GMT 2025 , Edited by admin on Wed Apr 02 07:05:13 GMT 2025

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CAS

53526-64-0

Created by admin on Wed Apr 02 07:05:13 GMT 2025 , Edited by admin on Wed Apr 02 07:05:13 GMT 2025

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FDA UNII

TB6UA4EHU7

Created by admin on Wed Apr 02 07:05:13 GMT 2025 , Edited by admin on Wed Apr 02 07:05:13 GMT 2025

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