3.BETA.-HYDROXY-2,3-DIHYDROWITHANOLIDE H

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40O7
Molecular Weight	488.613
Optical Activity	( + )
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3.BETA.-HYDROXY-2,3-DIHYDROWITHANOLIDE H

Structure Search

SMILES

[H][C@@]1(CC[C@@]2(O)[C@]3([H])CC=C4C[C@@H](O)CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@@]5([H])CC(C)=C(CO)C(=O)O5

InChI

InChIKey=RPUOZZLLWYFRDC-NYNCXJGOSA-N

InChI=1S/C28H40O7/c1-15-11-23(35-24(32)18(15)14-29)27(4,33)21-8-10-28(34)20-6-5-16-12-17(30)13-22(31)26(16,3)19(20)7-9-25(21,28)2/h5,17,19-21,23,29-30,33-34H,6-14H2,1-4H3/t17-,19+,20-,21+,23-,25-,26+,27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H40O7
Molecular Weight	488.613
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 10:59:29 GMT 2023` Edited by `admin` on `Sat Dec 16 10:59:29 GMT 2023`
Record UNII	22H792TYF9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.BETA.-HYDROXY-2,3-DIHYDROWITHANOLIDE H

Common Name

English

3.BETA.,14.ALPHA.,17.BETA.,20,28-PENTAHYDROXY-1-OXO-(20R,22R)-WITHA-5,24-DIENOLIDE

Common Name

English

(2R)-2-((1R)-1-((3R,8R,9S,10R,13R,14R,17S)-3,14-DIHYDROXY-10,13-DIMETHYL-1-OXO-3,4,7,8,9,11,12,15,16,17-DECAHYDRO-2H-CYCLOPENTA(A)PHENANTHREN-17-YL)-1-HYDROXYETHYL)-5-(HYDROXYMETHYL)-4-METHYL-2,3-DIHYDROPYRAN-6-ONE

Systematic Name

English

ERGOSTA-5,24-DIEN-26-OIC ACID, 3,14,20,22,27-PENTAHYDROXY-1-OXO-, .DELTA.-LACTONE, (3.BETA.,22R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

101288294

Created by admin on Sat Dec 16 10:59:29 GMT 2023 , Edited by admin on Sat Dec 16 10:59:29 GMT 2023

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CAS

334679-51-5

Created by admin on Sat Dec 16 10:59:29 GMT 2023 , Edited by admin on Sat Dec 16 10:59:29 GMT 2023

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FDA UNII

22H792TYF9

Created by admin on Sat Dec 16 10:59:29 GMT 2023 , Edited by admin on Sat Dec 16 10:59:29 GMT 2023

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