Penitrem D, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H45NO4
Molecular Weight	567.7575
Optical Activity	( - )
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=C)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)[C@@H](CC[C@@]3(O)C2=C[C@H]1O)[C@@H]5OC(C)(C)[C@H]6C[C@H]7[C@@H]6C8=C(CC7=C)C=CC9=C8C5=C4N9

InChI

InChIKey=XOASTWITKYDKAJ-PPQPEBMASA-N

InChI=1S/C37H45NO4/c1-17(2)31-25(39)16-22-26(41-31)11-12-35(6)36(7)21(10-13-37(22,35)40)32-30-29-24(38-33(30)36)9-8-19-14-18(3)20-15-23(28(20)27(19)29)34(4,5)42-32/h8-9,16,20-21,23,25-26,28,31-32,38-40H,1,3,10-15H2,2,4-7H3/t20-,21+,23+,25-,26+,28+,31-,32+,35-,36-,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H45NO4
Molecular Weight	567.7575
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:00:40 GMT 2025` Edited by `admin` on `Mon Mar 31 19:00:40 GMT 2025`
Record UNII	DUM28TRA2Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(-)-Penitrem D

Preferred Name

English

Penitrem D, (-)-

Common Name

English

7,8-(Epoxymethano)-4bH-1-benzopyrano[5?,6?:6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol, 2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-, [2R-(2?,3?,4b?,6a?,7?,7d?,

Systematic Name

English

(2R,3R,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-Octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-7,8-(epoxymethano)-4bH-1-benzopyrano[5?,6?:6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]i

Systematic Name

English

7,8-(Epoxymethano)-4bH-1-benzopyrano[5?,6?:6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol, 2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-, (2R,3R,4bS,6aR,7S,7dS,8S,9

Systematic Name

English

Penitrem D

Common Name

English

Penitrem A, 6-dechloro-23,24-deepoxy-23,24-didehydro-15-deoxy-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90999454

Created by admin on Mon Mar 31 19:00:40 GMT 2025 , Edited by admin on Mon Mar 31 19:00:40 GMT 2025

PRIMARY

CAS

78213-64-6

Created by admin on Mon Mar 31 19:00:40 GMT 2025 , Edited by admin on Mon Mar 31 19:00:40 GMT 2025

PRIMARY

PUBCHEM

3035208

Created by admin on Mon Mar 31 19:00:40 GMT 2025 , Edited by admin on Mon Mar 31 19:00:40 GMT 2025

PRIMARY

FDA UNII

DUM28TRA2Z

Created by admin on Mon Mar 31 19:00:40 GMT 2025 , Edited by admin on Mon Mar 31 19:00:40 GMT 2025

PRIMARY