(Q105193858)

English

[(1S,3R,5S,6R,7S,8R,9R,10R,13S,17R)-1,7-diacetyloxy-17-(furan-3-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

570.319268432 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₆O₈

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canonical SMILES

O=C(OC1CC(OC(=O)CC)C(C)(C)C2C(O)C(OC(=O)C)C3(C4=CCC(C5=COC=C5)C4(C)CCC3C12C)C)C

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isomeric SMILES

CCC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H]([C@@H](O)[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]32)C1(C)C

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found in taxon

Turraea pubescens

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stated in

Bioactive limonoid and triterpenoid constituents of Turraea pubescens

Identifiers

InChI

InChI=1S/C33H46O8/c1-9-26(36)41-24-16-25(39-18(2)34)33(8)23-12-14-31(6)21(20-13-15-38-17-20)10-11-22(31)32(23,7)29(40-19(3)35)27(37)28(33)30(24,4)5/h11,13,15,17,21,23-25,27-29,37H,9-10,12,14,16H2,1-8H3/t21-,23-,24+,25-,27+,28-,29+,31-,32-,33-/m0/s1

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InChIKey

OLAITLNVWDKEJN-DHGKALFUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OLAITLNVWDKEJN-DHGKALFUSA-N

1 reference

(Q105193858)

[(1S,3R,5S,6R,7S,8R,9R,10R,13S,17R)-1,7-diacetyloxy-17-(furan-3-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate

Statements

Identifiers

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