PAVONININ-3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H61NO9
Molecular Weight	663.8815
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](CCC[C@@H](C)[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)COC(C)=O

InChI

InChIKey=AGGNNZKNWLCKAW-YWTACQHFSA-N

InChI=1S/C37H61NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h10,20-21,25-35,39,42-44H,7-9,11-19H2,1-6H3,(H,38,40)/t20-,21-,25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36+,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H61NO9
Molecular Weight	663.8815
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
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	OWE777GJ3L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDE, (3.ALPHA.,15.ALPHA.,25R)-26-(ACETYLOXY)-3-HYDROXYCHOLEST-5-EN-15-YL 2-(ACETYLAMINO)-2-DEOXY-

Preferred Name

English

PAVONININ-3

Common Name

English

Code System Code Type Description

CAS

94425-99-7

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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PUBCHEM

76966336

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

OWE777GJ3L

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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