DAIGREMONTIANIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H30O9
Molecular Weight	486.511
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@]12[C@H](CC[C@]1(O)[C@@H]3CC[C@@]45C[C@@H]6C[C@@H](O[C@@](C)(O6)O4)[C@]5(C=O)[C@H]3[C@H](O)C2=O)C7=COC(=O)C=C7

InChI

InChIKey=PHOLEJIIASOWOL-XOGNUPMYSA-N

InChI=1S/C26H30O9/c1-22-15(13-3-4-18(28)32-11-13)6-8-26(22,31)16-5-7-24-10-14-9-17(34-23(2,33-14)35-24)25(24,12-27)19(16)20(29)21(22)30/h3-4,11-12,14-17,19-20,29,31H,5-10H2,1-2H3/t14-,15+,16+,17+,19+,20-,22-,23+,24-,25+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H30O9
Molecular Weight	486.511
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:06:21 GMT 2025` Edited by `admin` on `Wed Apr 02 09:06:21 GMT 2025`
Record UNII	N5SG3A9FLM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DAIGREMONTIANIN

Common Name

English

(1.BETA.,3.BETA.,5.BETA.,11.ALPHA.)-1,3,5-((1R)-ETHYLIDYNETRIS(OXY))-11,14-DIHYDROXY-12,19-DIOXOBUFA-20,22-DIENOLIDE

Preferred Name

English

BUFA-20,22-DIENOLIDE, 1,3,5-(ETHYLIDYNETRIS(OXY))-11,14-DIHYDROXY-12,19-DIOXO-, (1.BETA.(R),3.BETA.,5.BETA.,11.ALPHA.)-

Systematic Name

English

(1S,4R,5S,8R,9R,11S,12S,13R,14R,18S)-5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde

Systematic Name

English

Code System Code Type Description

FDA UNII

N5SG3A9FLM