(Q104401712)

English

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

604.412774892 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3aS,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bS)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₆O₅

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(CO)CCC43C)C1(C)C)C=CC6=CC=C(O)C(O)=C6

0 references

isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

0 references

found in taxon

Betula lenta

1 reference

stated in

Triterpenoid Extractives in the Outer Bark ofBetula lenta(Black Birch)

Betula ermanii

2 references

stated in

Chemical Evaluation of Betula Species in Japan. I. Constituents of Betula ermanii.

stated in

Isoprenoids of the outer bark of the Far Eastern birches Betula costata and Betula ermanii

Betula fruticosa

2 references

stated in

Chemical Evaluation of Betula Species in Japan. V. Constituents of Betula ovalifolia.

stated in

Chemical Evaluation of Betula Species in Japan. V. Constituents of Betula ovalifolia.

Betula ovalifolia

2 references

stated in

Chemical Evaluation of Betula Species in Japan. V. Constituents of Betula ovalifolia.

stated in

Chemical Evaluation of Betula Species in Japan. V. Constituents of Betula ovalifolia.

Monteverdia ilicifolia

3 references

stated in

Four new triterpenoids from Maytenus ilicifolia

stated in

Four new triterpenoids from Maytenus ilicifolia

stated in

Four New Triterpenoids from Maytenus ilicifolia

Quercus suber

1 reference

stated in

Betulin-3-Caffeate from Quercus suber, 13C-nmr Spectra of Some Lupenes

Monteverdia chiapensis

3 references

stated in

Lupane triterpenoids from Maytenus species

stated in

Lupane triterpenoids from Maytenus species

stated in

Activity of lupane triterpenoids from Maytenus species as inhibitors of nitric oxide and prostaglandin E2.

Betula maximowicziana

2 references

stated in

Chemical Evaluation of Betula Species in Japan. III. Constituents of Betula maximowicziana.

stated in

Triterpenoids of the outer bark ofBetula maximowicziana

Betula pendula

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. II. Constituents of Betula platyphylla var. japonica.

Betula platyphylla

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. II. Constituents of Betula platyphylla var. japonica.

Ceriops tagal

1 reference

stated in

Dammarane triterpenes from the hypocotyls and fruits of Ceriops tagal

Chaenomeles sinensis

1 reference

stated in

Antitumor-promoting constituents from Chaenomeles sinensis KOEHNE and their activities in JB6 mouse epidermal cells

Pseudocydonia sinensis

1 reference

stated in

Antitumor-promoting constituents from Chaenomeles sinensis KOEHNE and their activities in JB6 mouse epidermal cells

Celastrus stephanotiifolius

1 reference

stated in

Triterpene caffeoyl esters and diterpenes from Celastrus stephanotifolius

Monteverdia truncata

2 references

stated in

Four new triterpenoids from Maytenus ilicifolia

stated in

Four New Triterpenoids from Maytenus ilicifolia

Monteverdia cuzcoina

1 reference

stated in

Isolation, Structural Modification, and HIV Inhibition of Pentacyclic Lupane-Type Triterpenoids from Cassine xylocarpa and Maytenus cuzcoina.

Identifiers

InChI

InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1

0 references

InChIKey

VOQSZICWRNPAMF-IUGYEWCASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104401712)

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

Identifiers

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