VERRUCENE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24O6
Molecular Weight	372.4117
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C[C@H]2O[C@@H]3[C@H]4C[C@@](C)([C@]35CO5)[C@]2(CC1)COC(=O)\C=C\C=CC(=O)O4

InChI

InChIKey=OBDCZVPQHSXTML-RXJRPKKOSA-N

InChI=1S/C21H24O6/c1-13-7-8-20-11-24-16(22)5-3-4-6-17(23)26-14-10-19(20,2)21(12-25-21)18(14)27-15(20)9-13/h3-6,9,14-15,18H,7-8,10-12H2,1-2H3/b5-3+,6-4-/t14-,15-,18-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24O6
Molecular Weight	372.4117
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:31:35 GMT 2025` Edited by `admin` on `Tue Apr 01 19:31:35 GMT 2025`
Record UNII	1FL7R7DB71
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERRUCENE

Common Name

English

(+)-VERRUCENE

Preferred Name

English

TRICHOTHEC-9-ENE-3,15-DIOL, 12,13-EPOXY-, CYCLIC 3,15-((2Z,4E)-2,4-HEXADIENEDIOATE), (3.ALPHA.)-

Systematic Name

English

TRICHOTHEC-9-ENE-3,15-DIOL, 12,13-EPOXY-, CYCLIC 2,4-HEXADIENEDIOATE, (3.ALPHA.(2Z,4E))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

14218213

Created by admin on Tue Apr 01 19:31:35 GMT 2025 , Edited by admin on Tue Apr 01 19:31:35 GMT 2025

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FDA UNII

1FL7R7DB71

Created by admin on Tue Apr 01 19:31:35 GMT 2025 , Edited by admin on Tue Apr 01 19:31:35 GMT 2025

PRIMARY

CAS

123085-81-4

Created by admin on Tue Apr 01 19:31:35 GMT 2025 , Edited by admin on Tue Apr 01 19:31:35 GMT 2025

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