30-NORHEDERAGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H44O4
Molecular Weight	456.6573
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)(CO)[C@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=FKUBIEWSGBVADJ-VZBPFLCRSA-N

InChI=1S/C29H44O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h6,20-23,30-31H,1,7-17H2,2-5H3,(H,32,33)/t20-,21+,22+,23-,25-,26-,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H44O4
Molecular Weight	456.6573
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 `Sat Dec 16 10:01:02 UTC 2023` Edited by `admin` on `Sat Dec 16 10:01:02 UTC 2023`
Record UNII	909I60JU7Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

30-NORHEDERAGENIN

Common Name

English

30-NOROLEANA-12,20(29)-DIEN-28-OIC ACID, 3,23-DIHYDROXY-, (3.BETA.,4.ALPHA.)-

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-10-HYDROXY-9-(HYDROXYMETHYL)-6A,6B,9,12A-TETRAMETHYL-2-METHYLENE-, (4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

909I60JU7Q

Created by admin on Sat Dec 16 10:01:03 UTC 2023 , Edited by admin on Sat Dec 16 10:01:03 UTC 2023

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CAS

117654-06-5

Created by admin on Sat Dec 16 10:01:03 UTC 2023 , Edited by admin on Sat Dec 16 10:01:03 UTC 2023

PRIMARY

PUBCHEM

21596158

Created by admin on Sat Dec 16 10:01:03 UTC 2023 , Edited by admin on Sat Dec 16 10:01:03 UTC 2023

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