Erinacin B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O6
Molecular Weight	432.5497
Optical Activity	( - )
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC[C@@H](O)[C@H](O)[C@@]1([H])O[C@]3([H])C(C=O)=CC[C@]4([H])C5=C(CC[C@]5(C)CC[C@@]4(C)[C@@]3([H])O2)C(C)C

InChI

InChIKey=BEECYWPPXWUPIT-ZCKYJUNOSA-N

InChI=1S/C25H36O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,11,13,16-17,19-23,27-28H,6-10,12H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O6
Molecular Weight	432.5497
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:56:38 GMT 2023` Edited by `admin` on `Sat Dec 16 19:56:38 GMT 2023`
Record UNII	5VHR8J5JF2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Erinacin B

Common Name

English

1,2-O-[(3aR,5aR,6R,7R,10aR)-8-Formyl-2,3,3a,4,5,5a,6,7,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)cyclohept[e]indene-6,7-diyl]-β-D-xylopyranose

Systematic Name

English

Erinacine B

Common Name

English

β-D-Xylopyranose, 1,2-O-[(3aR,5aR,6R,7R,10aR)-8-formyl-2,3,3a,4,5,5a,6,7,10,10a-decahydro-3a,5a-dimethyl-1-(1-methylethyl)cyclohept[e]indene-6,7-diyl]-

Common Name

English

(-)-Erinacine B

Common Name

English

Code System Code Type Description

FDA UNII

5VHR8J5JF2

Created by admin on Sat Dec 16 19:56:38 GMT 2023 , Edited by admin on Sat Dec 16 19:56:38 GMT 2023

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CAS

156101-10-9

Created by admin on Sat Dec 16 19:56:38 GMT 2023 , Edited by admin on Sat Dec 16 19:56:38 GMT 2023

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PUBCHEM

9980261

Created by admin on Sat Dec 16 19:56:38 GMT 2023 , Edited by admin on Sat Dec 16 19:56:38 GMT 2023

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