SCIRPENOL 3-MONOPALMITATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H52O6
Molecular Weight	520.741
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]3([H])C=C(C)CC[C@]3(CO)[C@@](C)([C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCC)C24CO4

InChI

InChIKey=QHIGUUMXCSYCLC-BJNLDGJISA-N

InChI=1S/C31H52O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(33)37-26-27(34)29(3)30(21-32)19-18-23(2)20-24(30)36-28(26)31(29)22-35-31/h20,24,26-28,32,34H,4-19,21-22H2,1-3H3/t24-,26-,27-,28-,29-,30-,31?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H52O6
Molecular Weight	520.741
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:12:50 GMT 2023` Edited by `admin` on `Sat Dec 16 12:12:50 GMT 2023`
Record UNII	3VQQ2503I6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCIRPENOL 3-MONOPALMITATE

Common Name

English

TRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-, 3-MONOHEXADECANOATE, (3.ALPHA.,4.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

119025735

Created by admin on Sat Dec 16 12:12:50 GMT 2023 , Edited by admin on Sat Dec 16 12:12:50 GMT 2023

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FDA UNII

3VQQ2503I6

Created by admin on Sat Dec 16 12:12:50 GMT 2023 , Edited by admin on Sat Dec 16 12:12:50 GMT 2023

PRIMARY