PAEONENOIDE C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H42O4
Molecular Weight	442.6307
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(=C)CC[C@@]1(CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@@](C)(O)[C@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=VIDISXWZNJLDBI-YHWMONORSA-N

InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H42O4
Molecular Weight	442.6307
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:11:33 GMT 2023` Edited by `admin` on `Fri Dec 15 16:11:33 GMT 2023`
Record UNII	MZ4D4S9JD3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PAEONENOIDE C

Common Name

English

4A(2H)-PICENECARBOXYLIC ACID, 1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-OCTADECAHYDRO-9,10-DIHYDROXY-6A,6B,9,12A-TETRAMETHYL-2-METHYLENE-, (4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-

Systematic Name

English

24,30-DINOROLEANA-12,20(29)-DIEN-28-OIC ACID, 3,4-DIHYDROXY-, (3.BETA.,4.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

MZ4D4S9JD3

Created by admin on Fri Dec 15 16:11:33 GMT 2023 , Edited by admin on Fri Dec 15 16:11:33 GMT 2023

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PUBCHEM

154584964

Created by admin on Fri Dec 15 16:11:33 GMT 2023 , Edited by admin on Fri Dec 15 16:11:33 GMT 2023

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CAS

851223-38-6

Created by admin on Fri Dec 15 16:11:33 GMT 2023 , Edited by admin on Fri Dec 15 16:11:33 GMT 2023

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