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

Details

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

SHOW SMILES / InChI

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

Structure Search

SMILES

[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@]4([H])CC=C5C[C@@H](O)CC(=O)[C@]5(C)[C@@]4([H])CC[C@]23C

InChI

InChIKey=BQRGHHNBIPOTTJ-AIYKJBCKSA-N

InChI=1S/C28H40O7/c1-15-12-22(35-23(31)16(15)2)26(5,32)28(34)11-10-27(33)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32-34H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,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	6647D2PNR5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Common Name

English

(2R)-2-((1S)-1-HYDROXY-1-((3R,8R,9S,10R,13S,14R,17S)-3,14,17-TRIHYDROXY-10,13-DIMETHYL-1-OXO-2,3,4,7,8,9,11,12,15,16-DECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)ETHYL)-4,5-DIMETHYL-2,3-DIHYDROPYRAN-6-ONE

Systematic Name

English

ERGOSTA-5,24-DIEN-26-OIC ACID, 3,14,17,20,22-PENTAHYDROXY-1-OXO-, .DELTA.-LACTONE, (3.BETA.,17.ALPHA.,22R)-

Systematic Name

English

3-HDH-WITHANOLIDE F

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701007373

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

PRIMARY

FDA UNII

6647D2PNR5

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

PRIMARY

PUBCHEM

101288293

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

PRIMARY

CAS

87168-24-9

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

PRIMARY