(Q27136449)

Hopane-6Beta,7Beta,22-Triol (English)

(3S,3aR,5aR,5bR,6R,7R,7aR,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-6,7-diol

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

(3S,3aS,5aR,5bR,6R,7R,7aR,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-6,7-diol

inferred from InChI

2 references

inferred from InChIKey

(3S,3aS,5aR,5bR,6S,7R,7aS,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-6,7-diol

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₃₀H₅₂O₃

1 reference

Hopane-6Beta,7Beta,22-Triol (English)

7 October 2016

canonical SMILES

CC1(CCCC2(C1C(C(C3(C2CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)O)O)C)C

1 reference

Hopane-6Beta,7Beta,22-Triol (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@@H]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3([C@H]([C@H]([C@@H]5[C@@]4(CCCC5(C)C)C)O)O)C)C)C(C)(C)O

1 reference

Hopane-6Beta,7Beta,22-Triol (English)

7 October 2016

found in taxon

Conoideocrella tenuis

3 references

Bioactive compounds from the scale insect pathogenic fungus Conoideocrella tenuis BCC 18627.

Bioactive compounds from the scale insect pathogenic fungus Conoideocrella tenuis BCC 18627.

Bioactive compounds from the scale insect pathogenic fungus Conoideocrella tenuis BCC 18627.

Identifiers

InChI

InChI=1S/C30H52O3/c1-25(2)14-9-15-28(6)21-11-10-20-27(5)16-12-18(26(3,4)33)19(27)13-17-29(20,7)30(21,8)24(32)22(31)23(25)28/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21+,22-,23-,24-,27-,28+,29+,30-/m0/s1

1 reference

Hopane-6Beta,7Beta,22-Triol (English)

VYLJAYXZTOTZRR-QKJSLZMYSA-N

7 October 2016

InChIKey

2 references

Hopane-6Beta,7Beta,22-Triol (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(6beta,7beta)-Hopane-6,7,22-triol (English)

7 October 2016

2 references

Hopane-6Beta,7Beta,22-Triol (English)

matched by identifier from

7 October 2016

InChIKey

VYLJAYXZTOTZRR-QKJSLZMYSA-N

Reaxys registry number

21448551

1 reference

hopane-6beta,7beta,22-triol (English)

7 October 2016

ChEBI ID

67965

mapping relation type

2 references

hopane-6beta,7beta,22-triol (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C30H52O3/c1-25(2)14-9-15-28(6)21-11-10-20-27(5)16-12-18(26(3,4)33)19(27)13-17-29(20,7)30(21,8)24(32)22(31)23(25)28/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21+,22-,23-,24-,27-,28+,29+,30-/m0/s1

1 reference

CHEMBL1774510 (English)

7 October 2016

1 reference

Natural Product Atlas ID

NPA001532

2 references