HIPPURISTANOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H46O5
Molecular Weight	462.6618
Optical Activity	( + )
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)[C@]6(C[C@H](C)C(C)(C)O6)O2

InChI

InChIKey=HPHXKNOXVBFETI-SHCCRYCOSA-N

InChI=1S/C28H46O5/c1-15-13-28(33-24(15,2)3)27(6,31)23-21(32-28)12-19-18-8-7-16-11-17(29)9-10-25(16,4)22(18)20(30)14-26(19,23)5/h15-23,29-31H,7-14H2,1-6H3/t15-,16-,17+,18-,19-,20-,21-,22+,23-,25-,26-,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H46O5
Molecular Weight	462.6618
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:15:31 GMT 2023` Edited by `admin` on `Sat Dec 16 18:15:31 GMT 2023`
Record UNII	45PK2NS4NQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HIPPURISTANOL

Common Name

English

Furostan-3,11,20-triol, 22,25-epoxy-24-methyl-, (3α,5α,11β,22β,24S)-

Systematic Name

English

(3.ALPHA.,5.ALPHA.,11.BETA.,22.BETA.,24S)-22,25-EPOXY-24-METHYLFUROSTAN-3,11,20-TRIOL

Systematic Name

English

(1'S,2R,2'S,4S,4'S,7'R,8'R,9'S,11'S,12'S,13'S,16'R,18'S)-4,5,5,7',9',13'-hexamethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0{2,9}.0{4,8}.0{13,18}]icosane]-7',11',16'-triol

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50433627