SPHAERANTHANOLIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O9
Molecular Weight	428.4734
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC(=O)[C@H](C)[C@]1(O)CC[C@@]3(C)CC[C@@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)=C23

InChI

InChIKey=XJIHHYMEBKDQFZ-RQXOCINCSA-N

InChI=1S/C21H32O9/c1-9-11(28-19-16(25)15(24)14(23)12(8-22)29-19)4-5-20(3)6-7-21(27)10(2)18(26)30-17(21)13(9)20/h10-12,14-17,19,22-25,27H,4-8H2,1-3H3/t10-,11+,12+,14+,15-,16+,17-,19+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O9
Molecular Weight	428.4734
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:55:48 GMT 2023` Edited by `admin` on `Sat Dec 16 04:55:48 GMT 2023`
Record UNII	TE6O869VI1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPHAERANTHANOLIDE

Common Name

English

NAPHTHO(1,2-B)FURAN-2(3H)-ONE, 8-(.BETA.-D-GLUCOPYRANOSYLOXY)-3A,4,5,5A,6,7,8,9B-OCTAHYDRO-3A-HYDROXY-3,5A,9-TRIMETHYL-, (3R,3AR,5AR,8R,9BS)-

Common Name

English

Code System Code Type Description

CAS

129885-23-0

Created by admin on Sat Dec 16 04:55:48 GMT 2023 , Edited by admin on Sat Dec 16 04:55:48 GMT 2023

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EPA CompTox

DTXSID30156261

Created by admin on Sat Dec 16 04:55:48 GMT 2023 , Edited by admin on Sat Dec 16 04:55:48 GMT 2023

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FDA UNII

TE6O869VI1

Created by admin on Sat Dec 16 04:55:48 GMT 2023 , Edited by admin on Sat Dec 16 04:55:48 GMT 2023

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PUBCHEM

14733722

Created by admin on Sat Dec 16 04:55:48 GMT 2023 , Edited by admin on Sat Dec 16 04:55:48 GMT 2023

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Related Record Type Details


					1O5Y93LB44

SPHAERANTHUS INDICUS FLOWERING TOP

PARENT -> CONSTITUENT ALWAYS PRESENT