(Q27136204)

inferred from SMILES

mass

428.29266 dalton

1 reference

Scalaradial (English)

7 October 2016

2 references

inferred from InChIKey

[(4aS,4bR,6S,6aR,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

2 references

inferred from InChIKey

12alpha-Acetoxy-4,4,8-trimethyl-D-homo-5alpha-androst-16-ene-17,17aalpha-dicarbaldehyde

2 references

inferred from InChIKey

[(4aR,4bR,6R,6aS,7R,10aR,10bS,12aR)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

1 reference

[(4aS,4bR,6R,6aR,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate

1 reference

chemical formula

C₂₇H₄₀O₄

1 reference

Scalaradial (English)

7 October 2016

canonical SMILES

CC(=O)OC1CC2C3(CCCC(C3CCC2(C4C1(C(C(=CC4)C=O)C=O)C)C)(C)C)C

1 reference

Scalaradial (English)

7 October 2016

isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2([C@H]4[C@]1([C@H](C(=CC4)C=O)C=O)C)C)(C)C)C

1 reference

A new scalarane sesterterpenoid from the marine sponge Cacospongia mollior

Scalaradial (English)

7 October 2016

1 reference

Cacospongia scalaris

1 reference

New Cytotoxic Metabolites from the SpongeCacospongia scalaris

Glossodoris rufomarginata

1 reference

Scalarane metabolites of the nudibranch Glossodoris rufomarginata and Its dietary sponge from the South China Sea.

Spongia officinalis

1 reference

Bioactive terpenes from Spongia officinalis

Hyrtios erectus

1 reference

Sesterterpenes from a common marine sponge, Hyrtios erecta

Glossodoris sedna

1 reference

Scalarane and Homoscalarane Compounds from the NudibranchsGlossodoris sednaandGlossodoris dalli: Chemical and Biological Properties

Identifiers

InChI

InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1

1 reference

Scalaradial (English)

ADWFEADZGIHPDE-QGERINELSA-N

7 October 2016

InChIKey

2 references

Scalaradial (English)

7 October 2016

ChEBI release 2020-09-01

2 references

Scalaradial (English)

ADWFEADZGIHPDE-QGERINELSA-N

7 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=53527-28-9

1 reference

Scalaradial (English)

7 October 2016

2 references

Scalaradial (English)

matched by identifier from

7 October 2016

InChIKey

ADWFEADZGIHPDE-QGERINELSA-N

ChEBI ID

67731

mapping relation type

2 references

Scalaradial (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1

1 reference