TRIPTOGELIN A-1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H44O11
Molecular Weight	760.8243
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(OC(C)=O)[C@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@@H](OC(=O)C4=CC=CC=C4)[C@]5(C)[C@@H](OC(=O)C6=CC=CC=C6)[C@H](C[C@@H](C)[C@@]15OC2(C)C)OC(=O)C7=CC=CC=C7

InChI

InChIKey=KAMRIYILCXXILS-UHPPAMLESA-N

InChI=1S/C45H44O11/c1-27-26-33(52-39(47)29-18-10-6-11-19-29)36(54-41(49)31-22-14-8-15-23-31)44(5)38(55-42(50)32-24-16-9-17-25-32)35(53-40(48)30-20-12-7-13-21-30)34-37(51-28(2)46)45(27,44)56-43(34,3)4/h6-25,27,33-38H,26H2,1-5H3/t27-,33+,34-,35-,36+,37-,38-,44+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H44O11
Molecular Weight	760.8243
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:33:01 GMT 2023` Edited by `admin` on `Sat Dec 16 08:33:01 GMT 2023`
Record UNII	03173PR31Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIPTOGELIN A-1

Common Name

English

TRIPTOGELIN A 1, (+)-

Common Name

English

2H-3,9A-METHANO-1-BENZOXEPIN-4,5,6,7,10-PENTOL, OCTAHYDRO-2,2,5A,9-TETRAMETHYL-, 10-ACETATE 4,5,6,7-TETRABENZOATE, (3R,4R,5S,5AS,6R,7S,9R,9AS,10R)-

Systematic Name

English

2H-3,9A-METHANO-1-BENZOXEPIN-4,5,6,7,10-PENTOL, OCTAHYDRO-2,2,5A,9-TETRAMETHYL-, 10-ACETATE 4,5,6,7-TETRABENZOATE, (3R-(3.ALPHA.,4.ALPHA.,5.ALPHA.,5A.ALPHA.,6.ALPHA.,7.ALPHA.,9.ALPHA.,9A.ALPHA.,10R*))-

Systematic Name

English

Code System Code Type Description

FDA UNII

03173PR31Y

Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023

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CAS

132536-78-8

Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023

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PUBCHEM

14828974

Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023

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EPA CompTox

DTXSID70927715

Created by admin on Sat Dec 16 08:33:01 GMT 2023 , Edited by admin on Sat Dec 16 08:33:01 GMT 2023

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