MILBEMYCIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H46O7
Molecular Weight	530.6927
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1C[C@]2(O)[C@@H](C=C1C)C(=O)O[C@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C2/CO)O[C@@]4(CC[C@H](C)CO4)C3

InChI

InChIKey=ARCIBVHECBKSNA-GCMMJTPSSA-N

InChI=1S/C31H46O7/c1-20-7-6-8-24(18-32)31(34)17-28(35-5)23(4)14-27(31)29(33)37-26-15-25(10-9-21(2)13-20)38-30(16-26)12-11-22(3)19-36-30/h6-9,14,20,22,25-28,32,34H,10-13,15-19H2,1-5H3/b7-6+,21-9+,24-8+/t20-,22-,25+,26-,27-,28-,30-,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H46O7
Molecular Weight	530.6927
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:26:33 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:33 GMT 2025`
Record UNII	TVS8Z8ZXB2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MILBEMYCIN B

Common Name

English

SPIRO(3,7-METHANO-1H,5H-2,6-BENZODIOXACYCLOOCTADECIN-5,2'-(2H)PYRAN)-1-ONE, 3,3',4,4',5',6',7,8,11,12,16A,17,18,20A-TETRADECAHYDRO-16A-HYDROXY-16-(HYDROXYMETHYL)-18-METHOXY-5',10,12,19-TETRAMETHYL-, (3S-(3R*,5R*,5'R*,7S*,9E,12S*,13E,15E,16AR*,18R*,20AS*)

Preferred Name

English

Code System Code Type Description

FDA UNII

TVS8Z8ZXB2

Created by admin on Tue Apr 01 16:26:33 GMT 2025 , Edited by admin on Tue Apr 01 16:26:33 GMT 2025

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PUBCHEM

156028060

Created by admin on Tue Apr 01 16:26:33 GMT 2025 , Edited by admin on Tue Apr 01 16:26:33 GMT 2025

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CAS

57326-50-8

Created by admin on Tue Apr 01 16:26:33 GMT 2025 , Edited by admin on Tue Apr 01 16:26:33 GMT 2025

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