STIGMASTERYL PALMITOLEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H76O2
Molecular Weight	649.0837
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

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)CCCCCCC\C=C/CCCCCC)[C@H](C)\C=C\[C@@H](CC)C(C)C

InChI

InChIKey=JMIYKVDTFJOLBQ-NUXKBQDCSA-N

InChI=1S/C45H76O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h14-15,23-25,34-36,38-42H,8-13,16-22,26-33H2,1-7H3/b15-14-,24-23+/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H76O2
Molecular Weight	649.0837
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:47:46 GMT 2023` Edited by `admin` on `Sat Dec 16 11:47:46 GMT 2023`
Record UNII	3C0B3B1GL6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STIGMASTERYL PALMITOLEATE

Common Name

English

STIGMASTA-5,22-DIEN-3-OL, 3-(9Z)-9-HEXADECENOATE, (3.BETA.,22E)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

122201232

Created by admin on Sat Dec 16 11:47:46 GMT 2023 , Edited by admin on Sat Dec 16 11:47:46 GMT 2023

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CAS

1377184-66-1

Created by admin on Sat Dec 16 11:47:46 GMT 2023 , Edited by admin on Sat Dec 16 11:47:46 GMT 2023

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FDA UNII

3C0B3B1GL6

Created by admin on Sat Dec 16 11:47:46 GMT 2023 , Edited by admin on Sat Dec 16 11:47:46 GMT 2023

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