(Q27136030)

CHEBI:67566 (English)

7 October 2016

chemical formula

C₂₈H₃₈O₃

1 reference

CHEBI:67566 (English)

7 October 2016

canonical SMILES

CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CCC5=CC(=O)C=CC45C)C)C

1 reference

CHEBI:67566 (English)

7 October 2016

isomeric SMILES

CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)C)C

1 reference

Minabeolides: a group of withanolides from a soft coral, Minabea sp

CHEBI:67566 (English)

7 October 2016

1 reference

Paraminabea acronocephala

1 reference

stated in

Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala

Identifiers

InChI

InChI=1S/C28H38O3/c1-16-14-25(31-26(30)17(16)2)18(3)22-8-9-23-21-7-6-19-15-20(29)10-12-27(19,4)24(21)11-13-28(22,23)5/h10,12,15,18,21-25H,6-9,11,13-14H2,1-5H3/t18-,21-,22+,23-,24-,25+,27-,28+/m0/s1

1 reference

CHEBI:67566 (English)

XNASBJNLSIWJAM-CCSWOSDBSA-N

7 October 2016

InChIKey

2 references

CHEBI:67566 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(22R)-22,26-Epoxyergosta-1,4,24-triene-3,26-dione (English)

7 October 2016

2 references

CHEBI:67566 (English)

matched by identifier from

7 October 2016

InChIKey

XNASBJNLSIWJAM-CCSWOSDBSA-N

Reaxys registry number

21534300

1 reference

minabeolide 1 (English)

7 October 2016

ChEBI ID

67566

mapping relation type

2 references

minabeolide 1 (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C28H38O3/c1-16-14-25(31-26(30)17(16)2)18(3)22-8-9-23-21-7-6-19-15-20(29)10-12-27(19,4)24(21)11-13-28(22,23)5/h10,12,15,18,21-25H,6-9,11,13-14H2,1-5H3/t18-,21-,22+,23-,24-,25+,27-,28+/m0/s1

1 reference