SPIRALINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H33NO9
Molecular Weight	455.4987
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@]1(O)[C@@H](C)OC(=O)[C@H](O)[C@](O)(C(C)C)C(=O)O[C@@H]2CCN3CC=C(COC1=O)[C@H]23

InChI

InChIKey=SHUMEODPCRJUBC-JLWRCLLRSA-N

InChI=1S/C22H33NO9/c1-11(2)21(28)13(5)31-18(25)17(24)22(29,12(3)4)20(27)32-15-7-9-23-8-6-14(16(15)23)10-30-19(21)26/h6,11-13,15-17,24,28-29H,7-10H2,1-5H3/t13-,15-,16-,17+,21+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H33NO9
Molecular Weight	455.4987
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:20:24 GMT 2025` Edited by `admin` on `Mon Mar 31 23:20:24 GMT 2025`
Record UNII	E19XR233QA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7H-(1,5,10)TRIOXACYCLOTETRADECINO(7,8,9-GH)PYRROLIZINE-2,5,9(8H)-TRIONE, 3,4,11,13,15,16,16A,16B-OCTAHYDRO-3,4,8-TRIHYDROXY-7-METHYL-3,8-BIS(1-METHYLETHYL)-, (16AR,16BR)-

Preferred Name

English

SPIRALINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80227915

Created by admin on Mon Mar 31 23:20:24 GMT 2025 , Edited by admin on Mon Mar 31 23:20:24 GMT 2025

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CAS

77156-25-3

Created by admin on Mon Mar 31 23:20:24 GMT 2025 , Edited by admin on Mon Mar 31 23:20:24 GMT 2025

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FDA UNII

E19XR233QA

Created by admin on Mon Mar 31 23:20:24 GMT 2025 , Edited by admin on Mon Mar 31 23:20:24 GMT 2025

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PUBCHEM

3086069

Created by admin on Mon Mar 31 23:20:24 GMT 2025 , Edited by admin on Mon Mar 31 23:20:24 GMT 2025

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