HERKINORIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H30O8
Molecular Weight	494.533
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)C4=CC=CC=C4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C5=COC=C5)C(=O)OC

InChI

InChIKey=PYDQMXRFUVDCHC-XAGHGKQISA-N

InChI=1S/C28H30O8/c1-27-11-9-18-26(32)36-21(17-10-12-34-15-17)14-28(18,2)23(27)22(29)20(13-19(27)25(31)33-3)35-24(30)16-7-5-4-6-8-16/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H30O8
Molecular Weight	494.533
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:22:59 GMT 2023` Edited by `admin` on `Sat Dec 16 15:22:59 GMT 2023`
Record UNII	5XN29VGR24
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HERKINORIN

Common Name

English

2H-NAPHTHO(2,1-C)PYRAN-7-CARBOXYLIC ACID, 9-(BENZOYLOXY)-2-(3-FURANYL)DODECAHYDRO-6A,10B-DIMETHYL-4,10-DIOXO-, METHYL ESTER, (2S,4AR,6AR,7R,9S,10AS,10BR)-

Systematic Name

English

METHYL (2R,4AR,6AR,7S,9R,10AS,10BR)-2-(FURAN-3-YL)-6A,10B-DIMETHYL-4,10-BIS(OXIDANYLIDENE)-9-(PHENYLCARBONYLOXY)-2,4A,5,6,7,8,9,10A-OCTAHYDRO-1H-BENZO(F)ISOCHROMENE-7-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

11431898