(Q105298068)

English

(1R,2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

6,7-Dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-trideca-1,3-dienyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one

1 reference

1 reference

584.334918496 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,6S,7S,8R,10S,11S,12R,14S,16R,18S)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18S)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one

1 reference

based on heuristic

inferred from InChIKey

Huratoxin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₈O₈

0 references

canonical SMILES

O=C1C(=CC2C1(O)C(O)C3(OC3C4C5OC6(OC5(C(=C)C)CC(C)C24O6)C=CC=CCCCCCCCCC)CO)C

0 references

isomeric SMILES

C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@](/C=C/C=C/CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2

0 references

found in taxon

Wikstroemia retusa

1 reference

stated in

Minor daphnane-type diterpenoids from Wikstroemia retusa

Identifiers

InChI

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

0 references

InChIKey

VWGORPXMXKBHER-AOFVMEEQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VWGORPXMXKBHER-AOFVMEEQSA-N

1 reference

(Q105298068)

(1R,2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one

Statements

Identifiers

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