Macrocarpal H

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40O6
Molecular Weight	472.6136
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]([C@@H]1CCC(=C)[C@@H]2C[C@@H](CC[C@@]12C)C(C)(C)O)C3=C(O)C(C=O)=C(O)C(C=O)=C3O

InChI

InChIKey=OOAOETHJYYAVCC-GNLPDQNGSA-N

InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18+,21+,22+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H40O6
Molecular Weight	472.6136
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:58:57 GMT 2025` Edited by `admin` on `Wed Apr 02 05:58:57 GMT 2025`
Record UNII	3V5VQV46B4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Benzenedicarboxaldehyde, 5-[(1S)-1-[(1S,4aS,6R,8aS)-decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-

Preferred Name

English

Macrocarpal H

Common Name

English

5-[(1S)-1-[(1S,4aS,6R,8aS)-Decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

Systematic Name

English

Code System Code Type Description

CAS

179388-53-5

Created by admin on Wed Apr 02 05:58:57 GMT 2025 , Edited by admin on Wed Apr 02 05:58:57 GMT 2025

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FDA UNII

3V5VQV46B4

Created by admin on Wed Apr 02 05:58:57 GMT 2025 , Edited by admin on Wed Apr 02 05:58:57 GMT 2025

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PUBCHEM

133561804

Created by admin on Wed Apr 02 05:58:57 GMT 2025 , Edited by admin on Wed Apr 02 05:58:57 GMT 2025

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EPA CompTox

DTXSID50939210

Created by admin on Wed Apr 02 05:58:57 GMT 2025 , Edited by admin on Wed Apr 02 05:58:57 GMT 2025

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