GERMITRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H61NO12
Molecular Weight	735.9011
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]34O[C@]5(O)[C@H](CC[C@@]3(C)[C@]5([H])C[C@@H](OC(C)=O)[C@@]4([H])[C@]1(O)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@]6([H])[C@@]2([H])CN7C[C@@H](C)CC[C@@]7([H])[C@@]6(C)O)OC(=O)[C@@](C)(O)CC

InChI

InChIKey=FLFCQWMYNRYARR-WBIXJPJDSA-N

InChI=1S/C39H61NO12/c1-9-20(4)32(43)51-31-29(42)28-22(18-40-17-19(3)11-12-26(40)36(28,8)46)23-16-37-30(38(23,31)47)24(49-21(5)41)15-25-34(37,6)14-13-27(39(25,48)52-37)50-33(44)35(7,45)10-2/h19-20,22-31,42,45-48H,9-18H2,1-8H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+,29+,30+,31-,34-,35-,36+,37+,38-,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H61NO12
Molecular Weight	735.9011
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:09 GMT 2023` Edited by `admin` on `Sat Dec 16 08:55:09 GMT 2023`
Record UNII	U1G91M951M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GERMITRINE

Common Name

English

CEVANE-3.BETA.,4.BETA.,7.ALPHA.,14,15.ALPHA.,16.BETA.,20-HEPTOL, 4,9-EPOXY-, 7-ACETATE 15-((+)-2-HYDROXY-2-METHYLBUTYRATE) 3-((-)-2-METHYLBUTYRATE)

Systematic Name

English

GERMITRIN

Common Name

English

CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 7-ACETATE 3-((2S)-2-HYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-

Systematic Name

English

CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 7-ACETATE 3-(2-HYDROXY-2-METHYLBUTANOATE) 15-(2-METHYLBUTANOATE), (3.BETA.(S),4.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90479349

Created by admin on Sat Dec 16 08:55:09 GMT 2023 , Edited by admin on Sat Dec 16 08:55:09 GMT 2023

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FDA UNII

U1G91M951M

Created by admin on Sat Dec 16 08:55:09 GMT 2023 , Edited by admin on Sat Dec 16 08:55:09 GMT 2023

PRIMARY

CAS

560-48-5

Created by admin on Sat Dec 16 08:55:09 GMT 2023 , Edited by admin on Sat Dec 16 08:55:09 GMT 2023

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EPA CompTox

DTXSID40971386

Created by admin on Sat Dec 16 08:55:09 GMT 2023 , Edited by admin on Sat Dec 16 08:55:09 GMT 2023

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