ROSARAMICIN STEARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H51NO9.C18H36O2
Molecular Weight	866.2152
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCCCCCC(O)=O.[H][C@@]3(O[C@H]1[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@]2(C)O[C@H]2[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]1C)O[C@H](C)C[C@@H]([C@H]3O)N(C)C

InChI

InChIKey=NTRKBPHPPMYMKJ-VHXUMFCXSA-N

InChI=1S/C31H51NO9.C18H36O2/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3;2-17H2,1H3,(H,19,20)/b12-10+;/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C31H51NO9
Molecular Weight	581.7379
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C18H36O2
Molecular Weight	284.4772
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:14:04 UTC 2023` Edited by `admin` on `Fri Dec 15 15:14:04 UTC 2023`
Record UNII	S65216469V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROSARAMICIN STEARATE

Official Name

English

Rosamicin octadecanoate (salt)

Common Name

English

SCH-14947 STEARATE

Code

English

CIRRAMYCIN A1, 4'-DEOXY-, OCTADECANOATE (SALT)

Common Name

English

SCH 14947 STEARATE

Code

English

ROSARAMICIN STEARATE [USAN]

Common Name

English

ROSAMICIN STEARATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C261