CHAPARRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O7
Molecular Weight	380.4321
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@]3(O)OC[C@@]14[C@@]([H])(C[C@@]5([H])C(C)=C[C@H](O)[C@@H](O)[C@]25C)OC(=O)C[C@@]4([H])[C@@H](C)[C@H]3O

InChI

InChIKey=SYRCAVSNPCUQCQ-ZKNGBWAJSA-N

InChI=1S/C20H28O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-13,15-17,21,23-25H,5-7H2,1-3H3/t9-,10+,11+,12+,13-,15-,16-,17-,18-,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O7
Molecular Weight	380.4321
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:11:36 GMT 2023` Edited by `admin` on `Sat Dec 16 18:11:36 GMT 2023`
Record UNII	YX31WC5SRV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHAPARRIN

Common Name

English

NSC-132794

Code

English

NSC-79404

Code

English

PICRAS-3-EN-16-ONE, 11,20-EPOXY-1,2,11,12-TETRAHYDROXY-, (1.BETA.,2.ALPHA.,11.BETA.,12.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

441791