GERMBUDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H59NO12
Molecular Weight	709.8639
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
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)[C@@H](C)O

InChI

InChIKey=LWSPRPDSPCBAKK-FZARFFRBSA-N

InChI=1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33+,34+,35+,36-,37?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H59NO12
Molecular Weight	709.8639
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:06:11 GMT 2023` Edited by `admin` on `Sat Dec 16 01:06:11 GMT 2023`
Record UNII	38O087PFXF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GERMBUDINE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

134748317

Created by admin on Sat Dec 16 01:06:11 GMT 2023 , Edited by admin on Sat Dec 16 01:06:11 GMT 2023

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FDA UNII

38O087PFXF

Created by admin on Sat Dec 16 01:06:11 GMT 2023 , Edited by admin on Sat Dec 16 01:06:11 GMT 2023

PRIMARY

CAS

426-34-6

Created by admin on Sat Dec 16 01:06:11 GMT 2023 , Edited by admin on Sat Dec 16 01:06:11 GMT 2023

PRIMARY

Related Record Type Details


					38O087PFXF

GERMBUDINE

ACTIVE MOIETY