3-KETOPETROMYZONOL SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H40O7S
Molecular Weight	472.635
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCOS(O)(=O)=O

InChI

InChIKey=OAKDBNNISQJEJA-RTYFXBAISA-N

InChI=1S/C24H40O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-15,17-22,26-27H,4-13H2,1-3H3,(H,28,29,30)/t14-,15-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H40O7S
Molecular Weight	472.635
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:57:17 GMT 2023` Edited by `admin` on `Sat Dec 16 07:57:17 GMT 2023`
Record UNII	A06040390W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-KETOPETROMYZONOL SULFATE

Common Name

English

CHOLAN-3-ONE, 7,12-DIHYDROXY-24-(SULFOOXY)-, (5.ALPHA.,7.ALPHA.,12.ALPHA.)-

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

802