7,8-DIHYDROXY-3,4,15-TRIACETOXYSCIRPENOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O10
Molecular Weight	440.441
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7,8-DIHYDROXY-3,4,15-TRIACETOXYSCIRPENOL

Structure Search

SMILES

[H][C@@]12O[C@]3([H])C=C(C)[C@@H](O)[C@@H](O)[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1OC(C)=O)[C@]24CO4

InChI

InChIKey=URJKZBKWIWMEQI-IGZVRCDWSA-N

InChI=1S/C21H28O10/c1-9-6-13-20(7-27-10(2)22,16(26)14(9)25)19(5)17(30-12(4)24)15(29-11(3)23)18(31-13)21(19)8-28-21/h6,13-18,25-26H,7-8H2,1-5H3/t13-,14-,15-,16-,17-,18-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O10
Molecular Weight	440.441
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 08:57:29 GMT 2023` Edited by `admin` on `Sat Dec 16 08:57:29 GMT 2023`
Record UNII	N3NC3WO30F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7,8-DIHYDROXY-3,4,15-TRIACETOXYSCIRPENOL

Common Name

English

SPIRO(2,5-METHANO-1-BENZOXEPIN-10,2'-OXIRANE)-3,4,6,7(6H)-TETROL, 5A-((ACETYLOXY)METHYL)-2,3,4,5,7,9A-HEXAHYDRO-5,8-DIMETHYL-, 3,4-DIACETATE, (2R,2'S,3R,4S,5S,5AR,6S,7R,9AR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

N3NC3WO30F

Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023

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MANUFACTURER PRODUCT INFORMATION

7,8-DIHYDROXY-3,4,15-TRIACETOXYSCIRPENOL

Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023

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CAS

1664355-29-6

Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023

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PUBCHEM

122706803

Created by admin on Sat Dec 16 08:57:29 GMT 2023 , Edited by admin on Sat Dec 16 08:57:29 GMT 2023

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