12-DEOXY-12-EPIFUMITREMORGIN B, (±)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H33N3O4
Molecular Weight	463.5686
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 12-DEOXY-12-EPIFUMITREMORGIN B, (±)-

Structure Search

SMILES

COC1=CC2=C(C=C1)C3=C([C@H](C=C(C)C)N4[C@H]([C@H]3O)C(=O)N5CCC[C@H]5C4=O)N2CC=C(C)C

InChI

InChIKey=AFHAWEHQZDTFTO-SJKGNFENSA-N

InChI=1S/C27H33N3O4/c1-15(2)10-12-28-20-14-17(34-5)8-9-18(20)22-23(28)21(13-16(3)4)30-24(25(22)31)27(33)29-11-6-7-19(29)26(30)32/h8-10,13-14,19,21,24-25,31H,6-7,11-12H2,1-5H3/t19-,21-,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H33N3O4
Molecular Weight	463.5686
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:46:59 GMT 2025` Edited by `admin` on `Tue Apr 01 20:46:59 GMT 2025`
Record UNII	1X5L6V3CIM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

12-DEOXY-12-EPIFUMITREMORGIN B, (±)-

Common Name

English

(±)-12-DEOXY-12-EPIFUMITREMORGIN B

Preferred Name

English

5H,14H-PYRROLO(1'',2'':4',5')PYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-5,14-DIONE, 1,2,3,5A,6,11,12,14A-OCTAHYDRO-6-HYDROXY-9-METHOXY-11-(3-METHYL-2-BUTEN-1-YL)-12-(2-METHYL-1-PROPEN-1-YL)-, (5AR,6S,12S,14AS)-REL-

Systematic Name

English

5H,14H-PYRROLO(1'',2'':4',5')PYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-5,14-DIONE, 1,2,3,5A,6,11,12,14A-OCTAHYDRO-6-HYDROXY-9-METHOXY-11-(3-METHYL-2-BUTENYL)-12-(2-METHYL-1-PROPENYL)-, (5A.ALPHA.,6.BETA.,12.ALPHA.,14A.BETA.)-(±)-

Systematic Name

English

Code System Code Type Description

FDA UNII

1X5L6V3CIM

Created by admin on Tue Apr 01 20:46:59 GMT 2025 , Edited by admin on Tue Apr 01 20:46:59 GMT 2025

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PUBCHEM

134160060

Created by admin on Tue Apr 01 20:46:59 GMT 2025 , Edited by admin on Tue Apr 01 20:46:59 GMT 2025

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CAS

107977-02-6

Created by admin on Tue Apr 01 20:46:59 GMT 2025 , Edited by admin on Tue Apr 01 20:46:59 GMT 2025

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