3-(17,18-DIHYDROXY-6,9,12,15-TETRAOXA-2-AZAOCTADECANOATE)CHOLEST-5-EN-3-OL (3.BETA.)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C40H71NO8
Molecular Weight	693.9936
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(17,18-DIHYDROXY-6,9,12,15-TETRAOXA-2-AZAOCTADECANOATE)CHOLEST-5-EN-3-OL (3.BETA.)-

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCCCOCCOCCOCCOCC(O)CO)[C@H](C)CCCC(C)C

InChI

InChIKey=VFGBMBXDVJQZKH-LQQZGELXSA-N

InChI=1S/C40H71NO8/c1-29(2)8-6-9-30(3)35-12-13-36-34-11-10-31-26-33(14-16-39(31,4)37(34)15-17-40(35,36)5)49-38(44)41-18-7-19-45-20-21-46-22-23-47-24-25-48-28-32(43)27-42/h10,29-30,32-37,42-43H,6-9,11-28H2,1-5H3,(H,41,44)/t30-,32?,33+,34+,35-,36+,37+,39+,40-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H71NO8
Molecular Weight	693.9936
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:53:05 GMT 2023` Edited by `admin` on `Sat Dec 16 17:53:05 GMT 2023`
Record UNII	0XR52RGO3T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(17,18-DIHYDROXY-6,9,12,15-TETRAOXA-2-AZAOCTADECANOATE)CHOLEST-5-EN-3-OL (3.BETA.)-

Systematic Name

English

CHOLEST-5-EN-3-OL (3.BETA.)-, 3-(17,18-DIHYDROXY-6,9,12,15-TETRAOXA-2-AZAOCTADECANOATE)

Systematic Name

English

Code System Code Type Description

CAS

2375370-07-1

Created by admin on Sat Dec 16 17:53:05 GMT 2023 , Edited by admin on Sat Dec 16 17:53:05 GMT 2023

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FDA UNII

0XR52RGO3T

Created by admin on Sat Dec 16 17:53:05 GMT 2023 , Edited by admin on Sat Dec 16 17:53:05 GMT 2023

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PUBCHEM

90477179

Created by admin on Sat Dec 16 17:53:05 GMT 2023 , Edited by admin on Sat Dec 16 17:53:05 GMT 2023

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