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

[H][C@@]12O[C@]3([H])C=C(C)CC[C@@]34COC(=O)\C=C\C=CC(=O)O[C@@H]1C[C@@]4(C)[C@]25CO5

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 `Sat Dec 16 12:37:27 GMT 2023` Edited by `admin` on `Sat Dec 16 12:37:27 GMT 2023`
Record UNII	1FL7R7DB71
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERRUCENE

Common Name

English

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

Systematic Name

English

(+)-VERRUCENE

Common 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 Sat Dec 16 12:37:27 GMT 2023 , Edited by admin on Sat Dec 16 12:37:27 GMT 2023

PRIMARY

FDA UNII

1FL7R7DB71

Created by admin on Sat Dec 16 12:37:27 GMT 2023 , Edited by admin on Sat Dec 16 12:37:27 GMT 2023

PRIMARY

CAS

123085-81-4

Created by admin on Sat Dec 16 12:37:27 GMT 2023 , Edited by admin on Sat Dec 16 12:37:27 GMT 2023

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