DIMADECTIN (MINOR COMPONENT)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H56O10
Molecular Weight	660.8345
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIMADECTIN (MINOR COMPONENT)

Structure Search

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](OCOCCOC)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@H](O5)C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=CMZOLQQGUABKKN-DLKDMHAFSA-N

InChI=1S/C37H56O10/c1-22(2)32-25(5)13-14-36(47-32)19-29-18-28(46-36)12-11-24(4)33(44-21-42-16-15-41-7)23(3)9-8-10-27-20-43-34-31(38)26(6)17-30(35(39)45-29)37(27,34)40/h8-11,17,22-23,25,28-34,38,40H,12-16,18-21H2,1-7H3/b9-8+,24-11+,27-10+/t23-,25-,28+,29-,30-,31+,32+,33-,34+,36+,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H56O10
Molecular Weight	660.8345
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:38:29 GMT 2023` Edited by `admin` on `Fri Dec 15 19:38:29 GMT 2023`
Record UNII	J5W8X8IFUO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIMADECTIN (MINOR COMPONENT)

Common Name

English

MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-6,28-EPOXY-13-((2-METHOXYETHOXY)METHOXY)-25-(1-METHYLETHYL)-, (6R,13S,25R)-

Common Name

English

Code System Code Type Description

PUBCHEM

10055137

Created by admin on Fri Dec 15 19:38:29 GMT 2023 , Edited by admin on Fri Dec 15 19:38:29 GMT 2023

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CAS

103968-20-3

Created by admin on Fri Dec 15 19:38:29 GMT 2023 , Edited by admin on Fri Dec 15 19:38:29 GMT 2023

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EPA CompTox

DTXSID50146169

Created by admin on Fri Dec 15 19:38:29 GMT 2023 , Edited by admin on Fri Dec 15 19:38:29 GMT 2023

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FDA UNII

J5W8X8IFUO

Created by admin on Fri Dec 15 19:38:29 GMT 2023 , Edited by admin on Fri Dec 15 19:38:29 GMT 2023

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