GERMERINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H59NO11
Molecular Weight	693.8645
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](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=JOBMMOBXVRRLOS-ZXBXDNBOSA-N

InChI=1S/C37H59NO11/c1-8-19(4)30(41)48-29-27(40)26-20(17-38-16-18(3)10-11-24(38)34(26,7)44)21-15-35-28(36(21,29)45)22(39)14-23-32(35,5)13-12-25(37(23,46)49-35)47-31(42)33(6,43)9-2/h18-29,39-40,43-46H,8-17H2,1-7H3/t18-,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33-,34+,35+,36-,37?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H59NO11
Molecular Weight	693.8645
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 08:38:21 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:21 GMT 2023`
Record UNII	9V3T5CCW5U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GERMERINE

Common Name

English

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

Systematic Name

English

VERATENSIN

Common Name

English

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

Systematic Name

English

VERATENSINE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90965033

Created by admin on Sat Dec 16 08:38:21 GMT 2023 , Edited by admin on Sat Dec 16 08:38:21 GMT 2023

PRIMARY

FDA UNII

9V3T5CCW5U

Created by admin on Sat Dec 16 08:38:21 GMT 2023 , Edited by admin on Sat Dec 16 08:38:21 GMT 2023

PRIMARY

CAS

508-67-8

Created by admin on Sat Dec 16 08:38:21 GMT 2023 , Edited by admin on Sat Dec 16 08:38:21 GMT 2023

PRIMARY

Related Record Type Details


					9V3T5CCW5U

GERMERINE

ACTIVE MOIETY