NEOGERMITRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H55NO11
Molecular Weight	677.822
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]4C[C@@]56O[C@@]7(O)[C@@H](C[C@@H](OC(C)=O)[C@H]5[C@]14O)[C@]6(C)CC[C@@H]7OC(C)=O

InChI

InChIKey=ZRZLKBPAQMKVJY-FAPMBQQVSA-N

InChI=1S/C36H55NO11/c1-8-18(3)31(41)47-30-28(40)27-21(16-37-15-17(2)9-10-25(37)33(27,7)42)22-14-34-29(35(22,30)43)23(45-19(4)38)13-24-32(34,6)12-11-26(46-20(5)39)36(24,44)48-34/h17-18,21-30,40,42-44H,8-16H2,1-7H3/t17-,18+,21-,22-,23+,24-,25-,26-,27+,28+,29+,30-,32-,33+,34+,35-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H55NO11
Molecular Weight	677.822
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:44:25 GMT 2025` Edited by `admin` on `Mon Mar 31 21:44:25 GMT 2025`
Record UNII	3952Z7LU8C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOGERMITRIN

Preferred Name

English

NEOGERMITRINE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

3952Z7LU8C

Created by admin on Mon Mar 31 21:44:25 GMT 2025 , Edited by admin on Mon Mar 31 21:44:25 GMT 2025

PRIMARY

PUBCHEM

91799750

Created by admin on Mon Mar 31 21:44:25 GMT 2025 , Edited by admin on Mon Mar 31 21:44:25 GMT 2025

PRIMARY

CAS

508-66-7

Created by admin on Mon Mar 31 21:44:25 GMT 2025 , Edited by admin on Mon Mar 31 21:44:25 GMT 2025

PRIMARY

EPA CompTox

DTXSID30965032

Created by admin on Mon Mar 31 21:44:25 GMT 2025 , Edited by admin on Mon Mar 31 21:44:25 GMT 2025

PRIMARY

Related Record Type Details


					3952Z7LU8C

NEOGERMITRINE

ACTIVE MOIETY