GERMINITRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H57NO11
Molecular Weight	715.87
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	2
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(\C)=C\C)[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)=C/C

InChI

InChIKey=UKKUSFKPFVXOJD-VVCWBUNVSA-N

InChI=1S/C39H57NO11/c1-9-20(4)33(43)49-28-13-14-35(7)26-15-25(48-22(6)41)31-37(35,51-39(26,28)47)16-24-23-18-40-17-19(3)11-12-27(40)36(8,45)29(23)30(42)32(38(24,31)46)50-34(44)21(5)10-2/h9-10,19,23-32,42,45-47H,11-18H2,1-8H3/b20-9-,21-10+/t19-,23-,24-,25+,26-,27-,28-,29+,30+,31+,32-,35-,36+,37+,38-,39?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H57NO11
Molecular Weight	715.87
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:09:11 GMT 2023` Edited by `admin` on `Sat Dec 16 09:09:11 GMT 2023`
Record UNII	HGV8B23C4W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GERMINITRINE

Common Name

English

GERMINITRIN

Systematic Name

English

CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 7-ACETATE 3,15-BIS(2-METHYL-2-BUTENOATE), (3.BETA.(Z),4.ALPHA.,7.ALPHA.,15.ALPHA.(E),16.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

HGV8B23C4W

Created by admin on Sat Dec 16 09:09:11 GMT 2023 , Edited by admin on Sat Dec 16 09:09:11 GMT 2023

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PUBCHEM

121488129

Created by admin on Sat Dec 16 09:09:11 GMT 2023 , Edited by admin on Sat Dec 16 09:09:11 GMT 2023

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CAS

465-76-9

Created by admin on Sat Dec 16 09:09:11 GMT 2023 , Edited by admin on Sat Dec 16 09:09:11 GMT 2023

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