7,8-DIHYDROXYCALONECTRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26O8
Molecular Weight	382.4049
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=JSKXQQKSUOVSKS-MAORFSPBSA-N

InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13-,14-,15-,16-,17-,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H26O8
Molecular Weight	382.4049
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:08:59 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:59 GMT 2025`
Record UNII	AX442PL270
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EN-139532

Preferred Name

English

7,8-DIHYDROXYCALONECTRIN

Common Name

English

3,15-DIACETOXY-7,8-DIHYDROXY-12,13-EPOXYTRICHOTHEC-9-ENE, (3ALPHA,7ALPHA,8ALPHA)-

Common Name

English

TRICHOTHEC-9-ENE-3,7,8,15-TETROL, 12,13-EPOXY-, 3,15-DIACETATE, (3.ALPHA.,7.ALPHA.,8.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

87891521

Created by admin on Mon Mar 31 22:08:59 GMT 2025 , Edited by admin on Mon Mar 31 22:08:59 GMT 2025

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FDA UNII

AX442PL270

Created by admin on Mon Mar 31 22:08:59 GMT 2025 , Edited by admin on Mon Mar 31 22:08:59 GMT 2025

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CAS

95673-99-7

Created by admin on Mon Mar 31 22:08:59 GMT 2025 , Edited by admin on Mon Mar 31 22:08:59 GMT 2025

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EPA CompTox

DTXSID10241922

Created by admin on Mon Mar 31 22:08:59 GMT 2025 , Edited by admin on Mon Mar 31 22:08:59 GMT 2025

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