FR-225654

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40O9
Molecular Weight	508.6011
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@](C)(O)C[C@@H](C)[C@]1([H])[C@@](C)(C(=O)\C=C/O)[C@@]([H])([C@@H](CC)COC(=O)C\C(C)=C\C(O)=O)[C@](C)(O)C2=O

InChI

InChIKey=KKDOHEVLSPAAHT-ORDUMYNUSA-N

InChI=1S/C27H40O9/c1-7-17(14-36-21(32)11-15(2)10-20(30)31)23-26(5,19(29)8-9-28)22-16(3)12-25(4,34)13-18(22)24(33)27(23,6)35/h8-10,16-18,22-23,28,34-35H,7,11-14H2,1-6H3,(H,30,31)/b9-8-,15-10+/t16-,17+,18+,22+,23-,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H40O9
Molecular Weight	508.6011
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:07 UTC 2023` Edited by `admin` on `Sat Dec 16 08:55:07 UTC 2023`
Record UNII	WX2H9G948M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-225654

Code

English

5-((2R)-2-((1R,2R,3S,4AS,6R,8R,8AS)-DECAHYDRO-3,6-DIHYDROXY-1-((2Z)-3-HYDROXY-1-OXO-2-PROPEN-1-YL)-1,3,6,8-TETRAMETHYL-4-OXO-2-NAPHTHALENYL)BUTYL) (2E)-3-METHYL-2-PENTENEDIOATE

Systematic Name

English

2-PENTENEDIOIC ACID, 3-METHYL-, 5-((2R)-2-((1R,2R,3S,4AS,6R,8R,8AS)-DECAHYDRO-3,6-DIHYDROXY-1-((2Z)-3-HYDROXY-1-OXO-2-PROPENYL)-1,3,6,8-TETRAMETHYL-4-OXO-2-NAPHTHALENYL)BUTYL) ESTER, (2E)-

Systematic Name

English

FR225654

Code

English

2-PENTENEDIOIC ACID, 3-METHYL-, 5-((2R)-2-((1R,2R,3S,4AS,6R,8R,8AS)-DECAHYDRO-3,6-DIHYDROXY-1-((2Z)-3-HYDROXY-1-OXO-2-PROPEN-1-YL)-1,3,6,8-TETRAMETHYL-4-OXO-2-NAPHTHALENYL)BUTYL) ESTER, (2E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

WX2H9G948M

Created by admin on Sat Dec 16 08:55:07 UTC 2023 , Edited by admin on Sat Dec 16 08:55:07 UTC 2023

PRIMARY

PUBCHEM

11477704

Created by admin on Sat Dec 16 08:55:07 UTC 2023 , Edited by admin on Sat Dec 16 08:55:07 UTC 2023

PRIMARY

CAS

865307-72-8

Created by admin on Sat Dec 16 08:55:07 UTC 2023 , Edited by admin on Sat Dec 16 08:55:07 UTC 2023

PRIMARY

Related Record Type Details


					WX2H9G948M

FR-225654

ACTIVE MOIETY