(Q27138612)

(3S,5S,8R,9S,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Cabraleadiol (English)

7 October 2016

2 references

inferred from InChIKey

1 reference

inferred from InChIKey

1 reference

1 reference

(3R,5R,8R,9R,10R,13S,14R,17R)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

(3S,5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

(1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol

1 reference

(3S,5R,8R,9S,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

(3R,5S,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

chemical formula

C₃₀H₅₂O₃

1 reference

Cabraleadiol (English)

7 October 2016

canonical SMILES

CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C

1 reference

Cabraleadiol (English)

7 October 2016

isomeric SMILES

C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)[C@@]5(CC[C@H](O5)C(C)(C)O)C

1 reference

Cabraleadiol (English)

7 October 2016

found in taxon

Dysoxylum malabaricum

1 reference

Complete1H and13C NMR Spectral Assignment of Cabraleadiol, a Dammarane Triterpene fromDysoxylum malabaricumBedd

Blepharidophyllum densifolium

1 reference

Di-and Triterpenoids from the Liverwort Blepharidophyllum densifolium

Commiphora dalzielii

2 references

Dammarane Triterpenes from the stem bark of Commiphora Dalzielii

Dammarane Triterpenes from the stem bark of Commiphora Dalzielii

Cordia spinescens

2 references

Varronia spinescens

2 references

Cabralea canjerana

1 reference

Effect of triterpenoids and limonoids isolated from Cabralea canjerana and Carapa guianensis (Meliaceae) against Spodoptera frugiperda (J. E. Smith).

Aglaia abbreviata

1 reference

Triterpenoids from Aglaia abbreviata and their cytotoxic activities.

Dysoxylum binectariferum

1 reference

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum ficiforme

1 reference

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Dysoxylum gotadhora

1 reference

Cytotoxic dammarane-type triterpenoids from the stem bark of Dysoxylum binecteriferum.

Aglaia elaeagnoidea

1 reference

Triterpenoids from Aglaia abbreviata and their cytotoxic activities.

Aglaia lawii

1 reference

A pregnane steroid from Aglaia lawii and structure confirmation of cabraleadiol monoacetate by X-ray crystallography

Identifiers

InChI

InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1

1 reference

Cabraleadiol (English)

RQBNSDSKUAGBOI-ZNYSIYOKSA-N

7 October 2016

InChIKey

2 references

Cabraleadiol (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(3alpha,24S)-20,24-Epoxydammarane-3,25-diol (English)

7 October 2016

2 references

Cabraleadiol (English)

matched by identifier from

7 October 2016

InChIKey

RQBNSDSKUAGBOI-ZNYSIYOKSA-N

Reaxys registry number

1437381

1 reference

cabraleadiol (English)

7 October 2016

ChEBI ID

70272

mapping relation type

2 references

cabraleadiol (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1

1 reference