IVERMECTIN B1B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H72O14
Molecular Weight	861.0662
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]6([H])C[C@@H](C[C@]7(CC[C@H](C)[C@H](O7)C(C)C)O6)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

InChI

InChIKey=VARHUCVRRNANBD-PVVXTEPVSA-N

InChI=1S/C47H72O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H72O14
Molecular Weight	861.0662
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:59:10 UTC 2023` Edited by `admin` on `Fri Dec 15 15:59:10 UTC 2023`
Record UNII	0W28CYI3TU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IVERMECTIN B1B

Common Name

English

22,23-DIHYDROAVERMECTIN B1B

Common Name

English

AVERMECTIN A1A, 5-O-DEMETHYL-25-DE(1-METHYLPROPYL)-22,23-DIHYDRO-25-(1-METHYLETHYL)-

Common Name

English

IVERMECTIN COMPONENT B1B

Common Name

English

IVERMECTIN COMPONENT B1B [MI]

Common Name

English

5-O-DEMETHYL-25-DE(1-METHYLPROPYL)-22,23-DIHYDRO-25-(1-METHYLETHYL)AVERMECTIN A1A

Common Name

English

Code System Code Type Description

PUBCHEM

6321425