ANDIBENIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H30O6
Molecular Weight	426.5021
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]3(C)C(=O)[C@@]4(C)C[C@]1(CC[C@]5(C=CC(=O)OC5(C)C)[C@]2(C)O)[C@@]36COC(=O)C6=C4

InChI

InChIKey=FJRSJHTWTJSDAB-GUGSCZGZSA-N

InChI=1S/C25H30O6/c1-19(2)24(7-6-16(26)31-19)9-8-23-12-20(3)10-14-17(27)30-13-25(14,23)21(4,18(20)28)11-15(23)22(24,5)29/h6-7,10,15,29H,8-9,11-13H2,1-5H3/t15-,20+,21-,22+,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H30O6
Molecular Weight	426.5021
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:10:29 GMT 2023` Edited by `admin` on `Sat Dec 16 02:10:29 GMT 2023`
Record UNII	8J4R6SNW25
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANDIBENIN B

Common Name

English

(5S-(5.ALPHA.,6A.BETA.,7A.ALPHA.,8.BETA.,9.BETA.,11A.ALPHA.,11BS*))-6A,7,7A,8,10,11-HEXAHYDRO-8-HYDROXY-2',2',5,6A,8-PENTAMETHYLSPIRO(5,11A-METHANO-1H,11AH-FLUORENO(4,4A-C)FURAN-9(3H),3'(6'H)-(2H)PYRAN)-3,6,6'(5H)-TRIONE

Systematic Name

English

ANDIBENIN-B

Common Name

English

(3'S,5S,6AR,7AR,8R,11AS,11BR)-6A,7,7A,8,10,11-HEXAHYDRO-8-HYDROXY-2',2',5,6A,8-PENTAMETHYLSPIRO(5,11A-METHANO-1H,11AH-FLUORENO(4,4A-C)FURAN-9(3H),3'(6'H)-(2H)PYRAN)-3,6,6'(5H)-TRIONE

Systematic Name

English

SPIRO(5,11A-METHANO-1H,11AH-FLUORENO(4,4A-C)FURAN-9(3H),3'(6'H)-(2H)PYRAN)-3,6,6'(5H)-TRIONE, 6A,7,7A,8,10,11-HEXAHYDRO-8-HYDROXY-2',2',5,6A,8-PENTAMETHYL-, (3'S,5S,6AR,7AR,8R,11AS,11BR)-

Systematic Name

English

ANDIBENIN

Common Name

English

Code System Code Type Description

FDA UNII

8J4R6SNW25

Created by admin on Sat Dec 16 02:10:29 GMT 2023 , Edited by admin on Sat Dec 16 02:10:29 GMT 2023

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PUBCHEM

101593015

Created by admin on Sat Dec 16 02:10:29 GMT 2023 , Edited by admin on Sat Dec 16 02:10:29 GMT 2023

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MANUFACTURER PRODUCT INFORMATION

ANDIBENIN B

Created by admin on Sat Dec 16 02:10:29 GMT 2023 , Edited by admin on Sat Dec 16 02:10:29 GMT 2023

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CAS

60451-42-5

Created by admin on Sat Dec 16 02:10:29 GMT 2023 , Edited by admin on Sat Dec 16 02:10:29 GMT 2023

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