HELLEBRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H52O15
Molecular Weight	724.7891
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@]3(O)C[C@H](CC[C@]3(C=O)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@]24O)C5=COC(=O)C=C5)O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]6O

InChI

InChIKey=DCSLTSSPIJWEJN-YRFFWODSSA-N

InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H52O15
Molecular Weight	724.7891
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 08:05:58 GMT 2023` Edited by `admin` on `Sat Dec 16 08:05:58 GMT 2023`
Record UNII	IOS9LBR6II
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HELLEBRIN

Common Name

English

HELLEBRIN [MI]

Common Name

English

NSC-93134

Code

English

KORELBORIN

Common Name

English

BUFA-20,22-DIENOLIDE, 3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-.ALPHA.-L-MANNOPYRANOSYL)OXY)-5,14-DIHYDROXY-19-OXO-, (3.BETA.,5.BETA.)-

Systematic Name

English

CORELBORIN

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID501026583