7-HYDROXYCALONECTRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26O7
Molecular Weight	366.4055
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OC[C@]12[C@H](O)CC(C)=C[C@H]1O[C@@H]3[C@@H](C[C@@]2(C)[C@]34CO4)OC(C)=O

InChI

InChIKey=BIVJZMRENLVZDT-NVTXSZTESA-N

InChI=1S/C19H26O7/c1-10-5-14(22)18(8-23-11(2)20)15(6-10)26-16-13(25-12(3)21)7-17(18,4)19(16)9-24-19/h6,13-16,22H,5,7-9H2,1-4H3/t13-,14-,15-,16-,17-,18+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H26O7
Molecular Weight	366.4055
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:09:32 GMT 2025` Edited by `admin` on `Mon Mar 31 23:09:32 GMT 2025`
Record UNII	7PT252WDV2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

12,13-EPOXYTRICHOTHEC-9-ENE-3,7,15-TRIOL 3,15-DIACETATE, (3.ALPHA.,7.ALPHA.)-

Preferred Name

English

7-HYDROXYCALONECTRIN

Common Name

English

TRICHOTHEC-9-ENE-3,7,15-TRIOL, 12,13-EPOXY-, 3,15-DIACETATE, (3.ALPHA.,7.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

14733841

Created by admin on Mon Mar 31 23:09:32 GMT 2025 , Edited by admin on Mon Mar 31 23:09:32 GMT 2025

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FDA UNII

7PT252WDV2

Created by admin on Mon Mar 31 23:09:32 GMT 2025 , Edited by admin on Mon Mar 31 23:09:32 GMT 2025

PRIMARY

EPA CompTox

DTXSID90912623

Created by admin on Mon Mar 31 23:09:32 GMT 2025 , Edited by admin on Mon Mar 31 23:09:32 GMT 2025

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CAS

99571-98-9

Created by admin on Mon Mar 31 23:09:32 GMT 2025 , Edited by admin on Mon Mar 31 23:09:32 GMT 2025

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