CRYPTOECHINULINE B

Details

Stereochemistry	UNKNOWN
Molecular Formula	C43H49N3O5
Molecular Weight	687.8663
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@]2(NC(=O)\C(NC2=O)=C\C3=C(NC4=CC(CC=C(C)C)=CC=C34)C(C)(C)C=C)[C@H](\C=C\C5=C(C=O)C(O)=C(CC=C(C)C)C=C5O)C=C1

InChI

InChIKey=DTORJNDWFNFRER-ZLCBMZTHSA-N

InChI=1S/C43H49N3O5/c1-9-42(7,8)39-33(31-18-14-28(13-10-25(2)3)20-35(31)44-39)22-36-40(50)46-43(41(51)45-36)23-27(6)12-16-30(43)17-19-32-34(24-47)38(49)29(21-37(32)48)15-11-26(4)5/h9-12,14,16-22,24,27,30,44,48-49H,1,13,15,23H2,2-8H3,(H,45,51)(H,46,50)/b19-17+,36-22-/t27-,30-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H49N3O5
Molecular Weight	687.8663
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:51:27 GMT 2023` Edited by `admin` on `Sat Dec 16 12:51:27 GMT 2023`
Record UNII	4P1749F2KF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRYPTOECHINULINE B

Common Name

English

ALKALOID E 6, FROM ASPERGILLUS AMSTELODAMI

Common Name

English

BENZALDEHYDE, 2-(2-(3-((2-(1,1-DIMETHYL-2-PROPENYL)-6-(3-METHYL-2-BUTENYL)-1H-INDOL-3-YL)METHYLENE)-10-METHYL-2,5-DIOXO-1,4-DIAZASPIRO(5.5)UNDEC-8-EN-7-YL)ETHENYL)-3,6-DIHYDROXY-5-(3-METHYL-2-BUTENYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

4P1749F2KF

Created by admin on Sat Dec 16 12:51:27 GMT 2023 , Edited by admin on Sat Dec 16 12:51:27 GMT 2023

PRIMARY

CAS

64838-15-9

Created by admin on Sat Dec 16 12:51:27 GMT 2023 , Edited by admin on Sat Dec 16 12:51:27 GMT 2023

TENTATIVE

PUBCHEM

122201256

Created by admin on Sat Dec 16 12:51:27 GMT 2023 , Edited by admin on Sat Dec 16 12:51:27 GMT 2023

PRIMARY

CAS

58098-51-4

Created by admin on Sat Dec 16 12:51:27 GMT 2023 , Edited by admin on Sat Dec 16 12:51:27 GMT 2023

PRIMARY