Huratoxin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H48O8
Molecular Weight	584.7401
Optical Activity	( + )
Defined Stereocenters	11 / 11
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@]45O[C@@]6(O[C@]([H])([C@]24[H])[C@](C[C@H]5C)(O6)C(C)=C)\C=C\C=C\CCCCCCCCC

InChI

InChIKey=VWGORPXMXKBHER-PAAMMUKASA-N

InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24-,25-,27-,28+,29-,30-,31+,32-,33-,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H48O8
Molecular Weight	584.7401
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:02:15 GMT 2023` Edited by `admin` on `Sat Dec 16 08:02:15 GMT 2023`
Record UNII	GXV3CR7BC8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Huratoxin

Common Name

English

Ortho-2,4-tetradecadienoic acid, cyclic 7,8,10a-ester with 5,6-epoxy-4,5,6,6a,7,8,9,10,10a,10b-decahydro-3a,4,7,8,10a-pentahydroxy-5-(hydroxymethyl)-8-isopropenyl-2,10-dimethylbenz[e]azulen-3(3aH)-one, (E,E)-(3aS,4S,5R,6S,6aS,7R,8R,10R,10aR,10bR)-(+)-

Systematic Name

English

(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-(prop-1-en-2-yl)-14-[(1E,3E)-trideca-1,3-dien-1-yl]-9,13,15,19-tetraoxahexacyclo[12.4.1.0^{1,11}.0^{2,6}.0^{8,10}.0^{12,16}]nonadec-3-en-5-one

Systematic Name

English

6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1E,3E)-1,3-tridecadien-1-yl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10aR)-

Systematic Name

English

[2S-[2α(1E,3E),3aβ,3bβ,3cβ,4aβ,5β,5aβ,8aα,8bα,9α,10aβ]]-3a,3b,3c,4a,5,5a,8a,9,10,10a-Decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1,3-tridecadienyl)-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6

Systematic Name

English

Hippomane factor M1

Common Name

English

(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10aR)-3a,3b,3c,4a,5,5a,8a,9,10,10a-Decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1E,3E)-1,3-tridecadien-1-yl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one

Systematic Name

English

NSC-266186

Code

English

Code System Code Type Description

PUBCHEM

6440991