AJUGARIN-IV

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H34O6
Molecular Weight	406.5125
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCC[C@@H](C(=O)OC)[C@]1(C)[C@H](C[C@@H](C)[C@]2(C)CCC3=CC(=O)OC3)OC(C)=O

InChI

InChIKey=IPBJLEBCIOWRHJ-IKZNSBIOSA-N

InChI=1S/C23H34O6/c1-14-11-19(29-15(2)24)23(4)17(21(26)27-5)7-6-8-18(23)22(14,3)10-9-16-12-20(25)28-13-16/h12,14,17-19H,6-11,13H2,1-5H3/t14-,17+,18-,19+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H34O6
Molecular Weight	406.5125
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 08:05:07 GMT 2023` Edited by `admin` on `Sat Dec 16 08:05:07 GMT 2023`
Record UNII	MQ9O9963SS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AJUGARIN-IV

Common Name

English

1-NAPHTHALENECARBOXYLIC ACID, 8-(ACETYLOXY)-5-(2-(2,5-DIHYDRO-5-OXO-3-FURANYL)ETHYL)DECAHYDRO-5,6,8A-TRIMETHYL-, METHYL ESTER, (1R,4AR,5S,6R,8S,8AR)-

Systematic Name

English

AJUGARIN-IV [MI]

Common Name

English

Code System Code Type Description

FDA UNII

MQ9O9963SS