Marcfortine A, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H35N3O4
Molecular Weight	477.5952
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(=O)[C@@]23CCCCN2C[C@@]14C[C@@]5(C(=O)NC6=C7OC=CC(C)(C)OC7=CC=C56)C(C)(C)[C@@H]4C3

InChI

InChIKey=KYKUTNUWXQVSSU-ZALBMCOMSA-N

InChI=1S/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H35N3O4
Molecular Weight	477.5952
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 17:48:26 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:26 GMT 2025`
Record UNII	ZK3WQT3M9Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-324645

Preferred Name

English

Marcfortine A, (-)-

Common Name

English

[2?R-(2??,3?a?,9?a?,10?a?)]-6?,7?,8?,9?,10?,10?a-Hexahydro-1?,1?,4,4,12?-pentamethylspiro[4H,8H-[1,4]dioxepino[2,3-g]indole-8,2?(3?H)-[1H,4H-3a,9a](iminomethano)cyclopenta[b]quinolizine]-9,11?(10H)-dione

Systematic Name

English

Spiro[4H,8H-[1,4]dioxepino[2,3-g]indole-8,2?(3?H)-[1H,4H-3a,9a](iminomethano)cyclopenta[b]quinolizine]-9,11?(10H)-dione, 6?,7?,8?,9?,10?,10?a-hexahydro-1?,1?,4,4,12?-pentamethyl-, [2?R-(2??,3?a?,9?a?,10?a?)]-

Systematic Name

English

Marcfortine A

Common Name

English

Spiro[4H,8H-[1,4]dioxepino[2,3-g]indole-8,2?(3?H)-[1H,4H-3a,9a](iminomethano)cyclopenta[b]quinolizine]-9,11?(10H)-dione, 6?,7?,8?,9?,10?,10?a-hexahydro-1?,1?,4,4,12?-pentamethyl-, (2?R,3?aS,9?aS,10?aS)-

Systematic Name

English

N<sup>b</sup>-Methylmarcfortine

Common Name

English

(-)-Marcfortine A

Common Name

English

(2?R,3?aS,9?aS,10?aS)-6?,7?,8?,9?,10?,10?a-Hexahydro-1?,1?,4,4,12?-pentamethylspiro[4H,8H-[1,4]dioxepino[2,3-g]indole-8,2?(3?H)-[1H,4H-3a,9a](iminomethano)cyclopenta[b]quinolizine]-9,11?(10H)-dione

Systematic Name

English

Code System Code Type Description

FDA UNII

ZK3WQT3M9Z