PAVONININ-2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H57NO8
Molecular Weight	619.829
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O

InChI

InChIKey=QNHDDIVDUQBTLD-PJZAZJGPSA-N

InChI=1S/C35H57NO8/c1-19(17-37)7-6-8-20(2)24-9-10-25-29-26(12-14-35(24,25)5)34(4)13-11-23(40)15-22(34)16-27(29)43-33-30(36-21(3)39)32(42)31(41)28(18-38)44-33/h15,19-20,24-33,37-38,41-42H,6-14,16-18H2,1-5H3,(H,36,39)/t19-,20-,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H57NO8
Molecular Weight	619.829
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:38:22 GMT 2025` Edited by `admin` on `Mon Mar 31 23:38:22 GMT 2025`
Record UNII	5B0MU3ZQTH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PAVONININ-2

Common Name

English

CHOLEST-4-EN-3-ONE, 7-((2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-26-HYDROXY-, (7.ALPHA.,25R)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

21725056

Created by admin on Mon Mar 31 23:38:22 GMT 2025 , Edited by admin on Mon Mar 31 23:38:22 GMT 2025

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EPA CompTox

DTXSID80915542

Created by admin on Mon Mar 31 23:38:22 GMT 2025 , Edited by admin on Mon Mar 31 23:38:22 GMT 2025

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FDA UNII

5B0MU3ZQTH

Created by admin on Mon Mar 31 23:38:22 GMT 2025 , Edited by admin on Mon Mar 31 23:38:22 GMT 2025

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CAS

94426-00-3

Created by admin on Mon Mar 31 23:38:22 GMT 2025 , Edited by admin on Mon Mar 31 23:38:22 GMT 2025

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